5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

C16H20N4O3S2 — CID 16849791

IUPAC5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)sc1C
InChIInChI=1S/C16H20N4O3S2/c1-9-10(2)24-16(17-9)18-15(21)13-7-14(11-3-4-11)20(19-13)12-5-6-25(22,23)8-12/h7,11-12H,3-6,8H2,1-2H3,(H,17,18,21)
InChIKeyMTGDZEFVOWGNKD-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.45
Rot. Bonds4

About 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide

5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (PubChem CID 16849791) has the molecular formula C16H20N4O3S2 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
PubChem CID16849791
Molecular FormulaC16H20N4O3S2
Molecular Weight380.50 g/mol
Exact Mass380.10
IUPAC Name5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide
SMILESCc1nc(NC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)sc1C
InChIInChI=1S/C16H20N4O3S2/c1-9-10(2)24-16(17-9)18-15(21)13-7-14(11-3-4-11)20(19-13)12-5-6-25(22,23)8-12/h7,11-12H,3-6,8H2,1-2H3,(H,17,18,21)
InChIKeyMTGDZEFVOWGNKD-UHFFFAOYSA-N
XLogP2.45
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 29049788
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CID 56649049
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CID 44065913
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
5-cyclopropyl-1-(1,1-dioxo-1lambda6-thiolan-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 21008557
N-(4-tert-butyl-1,3-thiazol-2-yl)-1-ethyl-3-methyl-1H-pyrazole-5-carboxamide
CID 25854624
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[(S)-1,1-dioxo-1lambda-tetrahydro-3H-thien-3-yl]-2,3-diazabicyclo[3.3.0]octa-1,4-diene-4-carboxamide
CID 27378319
1-ethyl-3-methyl-N-(6-methyl-4,5,6,7-tetrahydrobenzo[d]thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 44116436
N-(5,5-dioxo-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 138030631
N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide
CID 164629893
1-ethyl-3-propan-2-yl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78864730
1-(11-Dioxo-1lambda6-thiolan-3-YL)-N-(4-methyl-13-thiazol-2-YL)-5-(propan-2-YL)-1H-pyrazole-3-carboxamide
CID 20997416

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide (CID 16849791) is 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is Cc1nc(NC(=O)c2cc(C3CC3)n(C3CCS(=O)(=O)C3)n2)sc1C.
What is the InChIKey of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
The InChIKey is MTGDZEFVOWGNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S2/c1-9-10(2)24-16(17-9)18-15(21)13-7-14(11-3-4-11)20(19-13)12-5-6-25(22,23)8-12/h7,11-12H,3-6,8H2,1-2H3,(H,17,18,21).
What are the key properties of 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide?
5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1,1-dioxothiolan-3-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 16849791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).