(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide

C12H14N4O4S2 — CID 95621129

IUPAC(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])s1
InChIInChI=1S/C12H14N4O4S2/c1-6-3-13-12(22-6)14-10(17)9-4-21-5-15(9)11(18)7-2-8(7)16(19)20/h3,7-9H,2,4-5H2,1H3,(H,13,14,17)/t7-,8+,9+/m1/s1
InChIKeyVVSQMNRJNHSWRR-VGMNWLOBSA-N
MW342.40 g/mol
LogP0.96
Rot. Bonds4

About (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide

(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 95621129) has the molecular formula C12H14N4O4S2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID95621129
Molecular FormulaC12H14N4O4S2
Molecular Weight342.40 g/mol
Exact Mass342.05
IUPAC Name(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])s1
InChIInChI=1S/C12H14N4O4S2/c1-6-3-13-12(22-6)14-10(17)9-4-21-5-15(9)11(18)7-2-8(7)16(19)20/h3,7-9H,2,4-5H2,1H3,(H,13,14,17)/t7-,8+,9+/m1/s1
InChIKeyVVSQMNRJNHSWRR-VGMNWLOBSA-N
XLogP0.96
TPSA105.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide 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-(5-methyl-1,3-thiazol-2-yl)-3-[4-(pyridin-4-ylamino)benzoyl]-1,3-thiazolidine-4-carboxamide
CID 166218683
(4S)-3-[(Z)-2-methylpent-2-enoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95293035
(4S)-3-[4-(difluoromethylsulfanyl)benzoyl]-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 95152267
trans-(1R,2R)-2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylate
CID 2304237
4-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]thiomorpholine-3-carboxylic acid
CID 82904543
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
CID 47259825
2-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2969362
(4R)-N-(3-fluorophenyl)-3-(6-methylpyridine-3-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 95300193
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918020
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382851

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide (CID 95621129) is (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide is Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])s1.
What is the InChIKey of (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is VVSQMNRJNHSWRR-VGMNWLOBSA-N. The full InChI is InChI=1S/C12H14N4O4S2/c1-6-3-13-12(22-6)14-10(17)9-4-21-5-15(9)11(18)7-2-8(7)16(19)20/h3,7-9H,2,4-5H2,1H3,(H,13,14,17)/t7-,8+,9+/m1/s1.
What are the key properties of (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide?
(4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(5-methyl-1,3-thiazol-2-yl)-3-[(1R,2S)-2-nitrocyclopropanecarbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 95621129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).