(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide

C15H18N4O3S2 — CID 167896651

IUPAC(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
SMILESCn1nccc1-c1csc(NC(=O)C2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1
InChIInChI=1S/C15H18N4O3S2/c1-19-13(2-3-16-19)12-6-23-15(17-12)18-14(20)9-4-10-7-24(21,22)8-11(10)5-9/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,18,20)/t9?,10-,11+
InChIKeyOSBOEMBBKCXGSH-FGWVZKOKSA-N
MW366.47 g/mol
LogP1.55
Rot. Bonds3

About (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide

(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide (PubChem CID 167896651) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide.

Molecular Properties

Compound Name(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
PubChem CID167896651
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide
SMILESCn1nccc1-c1csc(NC(=O)C2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1
InChIInChI=1S/C15H18N4O3S2/c1-19-13(2-3-16-19)12-6-23-15(17-12)18-14(20)9-4-10-7-24(21,22)8-11(10)5-9/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,18,20)/t9?,10-,11+
InChIKeyOSBOEMBBKCXGSH-FGWVZKOKSA-N
XLogP1.55
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide with MolForge

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Related Compounds

(1R,5S)-6-methyl-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-azabicyclo[3.1.0]hexane-3-carboxamide
CID 167939990
1-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-3-[[(1S,2R,4S,5S,6S)-8-oxatricyclo[3.2.1.02,4]octan-6-yl]methyl]urea
CID 167901737
2-(1-ethyltriazol-4-yl)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 167813319
1-[3-[[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470836
N-[4-[4-(2-methylpyrazol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 136542163
(3S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 40938479
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 17421007
(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 51534994
2-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]phenol
CID 137000832
4-[(3-methoxyphenoxy)methyl]-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 19500970
1,1-dioxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thiolane-3-carboxamide
CID 47011446
N-[4-(4-aminophenyl)-1,3-thiazol-2-yl]-5-methyloxolane-3-carboxamide
CID 114824222

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide?
The IUPAC name of (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide (CID 167896651) is (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide.
What is the SMILES notation for (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide?
The canonical SMILES for (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide is Cn1nccc1-c1csc(NC(=O)C2C[C@@H]3CS(=O)(=O)C[C@@H]3C2)n1.
What is the InChIKey of (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide?
The InChIKey is OSBOEMBBKCXGSH-FGWVZKOKSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-19-13(2-3-16-19)12-6-23-15(17-12)18-14(20)9-4-10-7-24(21,22)8-11(10)5-9/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,17,18,20)/t9?,10-,11+.
What are the key properties of (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide?
(3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-N-[4-(2-methylpyrazol-3-yl)-1,3-thiazol-2-yl]-2,2-dioxo-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]thiophene-5-carboxamide is sourced from PubChem (CID 167896651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).