methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid

C34H51N7O5S6 — CID 162244764

IUPACmethane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid
SMILESC.CSSC(C)(C)CCC(=O)c1cc(NC(=O)c2csc(C)n2)cn1C.CSSC(C)(C)CN.Cc1nc(C(=O)Nc2cc(C(=O)O)n(C)c2)cs1
InChIInChI=1S/C17H23N3O2S3.C11H11N3O3S.C5H13NS2.CH4/c1-11-18-13(10-24-11)16(22)19-12-8-14(20(4)9-12)15(21)6-7-17(2,3)25-23-5;1-6-12-8(5-18-6)10(15)13-7-3-9(11(16)17)14(2)4-7;1-5(2,4-6)8-7-3;/h8-10H,6-7H2,1-5H3,(H,19,22);3-5H,1-2H3,(H,13,15)(H,16,17);4,6H2,1-3H3;1H4
InChIKeyZXEKKOKFTLYFFO-UHFFFAOYSA-N
MW830.23 g/mol
LogP8.91
Rot. Bonds14

About methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid

methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid (PubChem CID 162244764) has the molecular formula C34H51N7O5S6 and a molecular weight of 830.23 g/mol. Its IUPAC name is methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Namemethane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid
PubChem CID162244764
Molecular FormulaC34H51N7O5S6
Molecular Weight830.23 g/mol
Exact Mass829.23
IUPAC Namemethane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid
SMILESC.CSSC(C)(C)CCC(=O)c1cc(NC(=O)c2csc(C)n2)cn1C.CSSC(C)(C)CN.Cc1nc(C(=O)Nc2cc(C(=O)O)n(C)c2)cs1
InChIInChI=1S/C17H23N3O2S3.C11H11N3O3S.C5H13NS2.CH4/c1-11-18-13(10-24-11)16(22)19-12-8-14(20(4)9-12)15(21)6-7-17(2,3)25-23-5;1-6-12-8(5-18-6)10(15)13-7-3-9(11(16)17)14(2)4-7;1-5(2,4-6)8-7-3;/h8-10H,6-7H2,1-5H3,(H,19,22);3-5H,1-2H3,(H,13,15)(H,16,17);4,6H2,1-3H3;1H4
InChIKeyZXEKKOKFTLYFFO-UHFFFAOYSA-N
XLogP8.91
TPSA174.23 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.23
LogP ≤ 58.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid?
The IUPAC name of methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid (CID 162244764) is methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid.
What is the SMILES notation for methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid?
The canonical SMILES for methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid is C.CSSC(C)(C)CCC(=O)c1cc(NC(=O)c2csc(C)n2)cn1C.CSSC(C)(C)CN.Cc1nc(C(=O)Nc2cc(C(=O)O)n(C)c2)cs1.
What is the InChIKey of methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid?
The InChIKey is ZXEKKOKFTLYFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S3.C11H11N3O3S.C5H13NS2.CH4/c1-11-18-13(10-24-11)16(22)19-12-8-14(20(4)9-12)15(21)6-7-17(2,3)25-23-5;1-6-12-8(5-18-6)10(15)13-7-3-9(11(16)17)14(2)4-7;1-5(2,4-6)8-7-3;/h8-10H,6-7H2,1-5H3,(H,19,22);3-5H,1-2H3,(H,13,15)(H,16,17);4,6H2,1-3H3;1H4.
What are the key properties of methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid?
methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid has a molecular weight of 830.23 g/mol, XLogP of 8.91, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-2-(methyldisulfanyl)propan-1-amine;2-methyl-N-[1-methyl-5-[4-methyl-4-(methyldisulfanyl)pentanoyl]pyrrol-3-yl]-1,3-thiazole-4-carboxamide;1-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]pyrrole-2-carboxylic acid is sourced from PubChem (CID 162244764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).