N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide

C12H18N8O3S — CID 2730938

IUPACN-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide
SMILESO=C(Cn1nnc(N2CCOCC2)n1)NNC(=S)NC(=O)C1CC1
InChIInChI=1S/C12H18N8O3S/c21-9(14-16-12(24)13-10(22)8-1-2-8)7-20-17-11(15-18-20)19-3-5-23-6-4-19/h8H,1-7H2,(H,14,21)(H2,13,16,22,24)
InChIKeyJERFIKNBWBHEQX-UHFFFAOYSA-N
MW354.40 g/mol
LogP-2.06
Rot. Bonds4

About N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide

N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide (PubChem CID 2730938) has the molecular formula C12H18N8O3S and a molecular weight of 354.40 g/mol. Its IUPAC name is N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide
PubChem CID2730938
Molecular FormulaC12H18N8O3S
Molecular Weight354.40 g/mol
Exact Mass354.12
IUPAC NameN-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide
SMILESO=C(Cn1nnc(N2CCOCC2)n1)NNC(=S)NC(=O)C1CC1
InChIInChI=1S/C12H18N8O3S/c21-9(14-16-12(24)13-10(22)8-1-2-8)7-20-17-11(15-18-20)19-3-5-23-6-4-19/h8H,1-7H2,(H,14,21)(H2,13,16,22,24)
InChIKeyJERFIKNBWBHEQX-UHFFFAOYSA-N
XLogP-2.06
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 5-2.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N'-[(2R)-2-(5-morpholin-4-yltetrazol-2-yl)propanoyl]cyclopropanecarbohydrazide
CID 6924468
2-(5-morpholin-4-yltetrazol-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)acetamide
CID 90621314
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-(5-morpholin-4-yltetrazol-2-yl)acetamide
CID 90595407
1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-2-(5-morpholin-4-yltetrazol-2-yl)ethanone
CID 90592246
N-[(4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)methyl]cyclopropanecarboxamide
CID 122255008
benzyl N-[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]-N-[(3S)-5-methyl-1-(5-morpholin-4-yltetrazol-2-yl)-2-oxohexan-3-yl]carbamate
CID 20791262
N-[(E)-[1-(4-chlorophenyl)-2-(5-morpholin-4-yltetrazol-2-yl)ethylidene]amino]methanamine
CID 134116630
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(5-morpholin-4-yltetrazol-2-yl)ethanone
CID 90620957
2-[5-(4-methylpiperazin-1-yl)tetrazol-2-yl]acetic acid
CID 66523730
2-(5-piperidin-1-yltetrazol-2-yl)-N-(pyridin-4-ylmethylideneamino)acetamide
CID 2730068
N-[(4-chlorophenyl)methylideneamino]-2-(5-pyrrolidin-1-yltetrazol-2-yl)acetamide
CID 2730086
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911

Frequently Asked Questions

What is the IUPAC name of N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide?
The IUPAC name of N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide (CID 2730938) is N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide is O=C(Cn1nnc(N2CCOCC2)n1)NNC(=S)NC(=O)C1CC1.
What is the InChIKey of N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide?
The InChIKey is JERFIKNBWBHEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8O3S/c21-9(14-16-12(24)13-10(22)8-1-2-8)7-20-17-11(15-18-20)19-3-5-23-6-4-19/h8H,1-7H2,(H,14,21)(H2,13,16,22,24).
What are the key properties of N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide?
N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide has a molecular weight of 354.40 g/mol, XLogP of -2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[[2-(5-morpholin-4-yltetrazol-2-yl)acetyl]amino]carbamothioyl]cyclopropanecarboxamide is sourced from PubChem (CID 2730938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).