N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

C16H20N4O3S2 — CID 27378319

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)sc1C
InChIInChI=1S/C16H20N4O3S2/c1-9-10(2)24-16(17-9)18-15(21)14-12-4-3-5-13(12)19-20(14)11-6-7-25(22,23)8-11/h11H,3-8H2,1-2H3,(H,17,18,21)/t11-/m0/s1
InChIKeyJAUTVFBUVFYJSD-NSHDSACASA-N
MW380.50 g/mol
LogP2.06
Rot. Bonds3

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (PubChem CID 27378319) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
PubChem CID27378319
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)sc1C
InChIInChI=1S/C16H20N4O3S2/c1-9-10(2)24-16(17-9)18-15(21)14-12-4-3-5-13(12)19-20(14)11-6-7-25(22,23)8-11/h11H,3-8H2,1-2H3,(H,17,18,21)/t11-/m0/s1
InChIKeyJAUTVFBUVFYJSD-NSHDSACASA-N
XLogP2.06
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-(4,5-dimethylthiazol-2-yl)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065913
2-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065931
2-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065932
5-cyclopropyl-N-(4,5-dimethylthiazol-2-yl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 16849791
2-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(5-nitrothiazol-2-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065930
1-(11-Dioxo-1lambda6-thiolan-3-YL)-N-(4-methyl-13-thiazol-2-YL)-5-(propan-2-YL)-1H-pyrazole-3-carboxamide
CID 20997416
N-(4,5-Dimethyl-1,3-thiazol-2-YL)-1-(1,1-dioxidotetrahydro-3-thiophenyl)-5-isopropyl-1H-pyrazole-3-carboxamide
CID 20997417
1-(1,1-Dioxidotetrahydro-3-thiophenyl)-5-isopropyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-YL)-1H-pyrazole-3-carboxamide
CID 20997420
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 22695268
1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylthiazol-2-yl)-5-phenyl-1H-pyrazole-3-carboxamide
CID 44044514
Ethyl 2-(2-(2-(1,1-dioxidotetrahydrothiophen-3-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamido)thiazol-4-yl)acetate
CID 44065929
2-(2-(1-(1,1-dioxidotetrahydrothiophen-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl)acetamido)-N,N,4-trimethylthiazole-5-carboxamide
CID 45503122

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide (CID 27378319) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is Cc1nc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
The InChIKey is JAUTVFBUVFYJSD-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-9-10(2)24-16(17-9)18-15(21)14-12-4-3-5-13(12)19-20(14)11-6-7-25(22,23)8-11/h11H,3-8H2,1-2H3,(H,17,18,21)/t11-/m0/s1.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[(3S)-1,1-dioxothiolan-3-yl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide is sourced from PubChem (CID 27378319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).