methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate

C16H24N4O5S — CID 170969990

IUPACmethanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate
SMILESC=C(NC(=O)c1csc(C2CCNCC2)n1)C(=O)NCC(=O)OC.CO
InChIInChI=1S/C15H20N4O4S.CH4O/c1-9(13(21)17-7-12(20)23-2)18-14(22)11-8-24-15(19-11)10-3-5-16-6-4-10;1-2/h8,10,16H,1,3-7H2,2H3,(H,17,21)(H,18,22);2H,1H3
InChIKeyINNHXRDHEFUNFZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP-0.25
Rot. Bonds6

About methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate

methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate (PubChem CID 170969990) has the molecular formula C16H24N4O5S and a molecular weight of 384.46 g/mol. Its IUPAC name is methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate.

Molecular Properties

Compound Namemethanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate
PubChem CID170969990
Molecular FormulaC16H24N4O5S
Molecular Weight384.46 g/mol
Exact Mass384.15
IUPAC Namemethanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate
SMILESC=C(NC(=O)c1csc(C2CCNCC2)n1)C(=O)NCC(=O)OC.CO
InChIInChI=1S/C15H20N4O4S.CH4O/c1-9(13(21)17-7-12(20)23-2)18-14(22)11-8-24-15(19-11)10-3-5-16-6-4-10;1-2/h8,10,16H,1,3-7H2,2H3,(H,17,21)(H,18,22);2H,1H3
InChIKeyINNHXRDHEFUNFZ-UHFFFAOYSA-N
XLogP-0.25
TPSA129.65 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate with MolForge

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Related Compounds

methyl 3-[4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]cyclohexyl]propanoate
CID 18969415
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
methyl 2-[2-[[2-(azocan-4-ylmethyl)-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]prop-2-enoate
CID 174195377
2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
methyl 2-[2-[[2-[4-[(4-hydroxy-2,2-dimethylbutanoyl)amino]phenyl]-1,3-thiazole-4-carbonyl]amino]prop-2-enoylamino]acetate
CID 169151256
fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
CID 156738991
2-cyclopropyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120891937
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23798960
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23880769

Frequently Asked Questions

What is the IUPAC name of methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate?
The IUPAC name of methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate (CID 170969990) is methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate.
What is the SMILES notation for methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate?
The canonical SMILES for methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate is C=C(NC(=O)c1csc(C2CCNCC2)n1)C(=O)NCC(=O)OC.CO.
What is the InChIKey of methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate?
The InChIKey is INNHXRDHEFUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S.CH4O/c1-9(13(21)17-7-12(20)23-2)18-14(22)11-8-24-15(19-11)10-3-5-16-6-4-10;1-2/h8,10,16H,1,3-7H2,2H3,(H,17,21)(H,18,22);2H,1H3.
What are the key properties of methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate?
methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate has a molecular weight of 384.46 g/mol, XLogP of -0.25, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methyl 2-[2-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]prop-2-enoylamino]acetate is sourced from PubChem (CID 170969990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).