(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide

C15H19N3O2S — CID 95383054

IUPAC(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccncc1
InChIInChI=1S/C15H19N3O2S/c1-3-4-11(2)15(20)18-10-21-9-13(18)14(19)17-12-5-7-16-8-6-12/h4-8,13H,3,9-10H2,1-2H3,(H,16,17,19)/b11-4-/t13-/m1/s1
InChIKeyMTVNUAIADAKJQE-XFVCYKSVSA-N
MW305.40 g/mol
LogP2.28
Rot. Bonds4

About (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide

(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide (PubChem CID 95383054) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
PubChem CID95383054
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccncc1
InChIInChI=1S/C15H19N3O2S/c1-3-4-11(2)15(20)18-10-21-9-13(18)14(19)17-12-5-7-16-8-6-12/h4-8,13H,3,9-10H2,1-2H3,(H,16,17,19)/b11-4-/t13-/m1/s1
InChIKeyMTVNUAIADAKJQE-XFVCYKSVSA-N
XLogP2.28
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035
3-(2-methylpent-2-enoyl)-N-[3-(2-methylprop-2-enoxy)phenyl]-1,3-thiazolidine-4-carboxamide
CID 72685920
N-(2-methoxyphenyl)-3-[(E)-2-methylpent-2-enoyl]-1,3-thiazolidine-4-carboxamide
CID 132969961
(4S)-3-[(E)-2-methylpent-2-enoyl]-N-[2-(pyrimidin-2-ylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 97464344
N-ethoxy-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685878
N-(5-chloro-1-methylbenzimidazol-2-yl)-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685916
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685939
3-acetyl-N-(4-methylphenyl)-1,3-thiazolidine-4-carboxamide
CID 42744636
3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide
CID 132967895
N-[2-methyl-2-(3-methylphenyl)propyl]-3-(2-methylpent-2-enoyl)-1,3-thiazolidine-4-carboxamide
CID 72685910
(4R)-N-(5-acetamido-2-methylphenyl)-3-propanoyl-1,3-thiazolidine-4-carboxamide
CID 95568340
5-[(3-butanoyl-1,3-thiazolidine-4-carbonyl)amino]-2-methylbenzoic acid
CID 119255305

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide (CID 95383054) is (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide is CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccncc1.
What is the InChIKey of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide?
The InChIKey is MTVNUAIADAKJQE-XFVCYKSVSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-4-11(2)15(20)18-10-21-9-13(18)14(19)17-12-5-7-16-8-6-12/h4-8,13H,3,9-10H2,1-2H3,(H,16,17,19)/b11-4-/t13-/m1/s1.
What are the key properties of (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide?
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(Z)-2-methylpent-2-enoyl]-N-pyridin-4-yl-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95383054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).