1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide

C15H20N4O3S2 — CID 20997416

IUPAC1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)C)n(C3CCS(=O)(=O)C3)n2)n1
InChIInChI=1S/C15H20N4O3S2/c1-9(2)13-6-12(14(20)17-15-16-10(3)7-23-15)18-19(13)11-4-5-24(21,22)8-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17,20)
InChIKeyCPORECVNUQLFSU-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.38
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide

1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 20997416) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID20997416
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2cc(C(C)C)n(C3CCS(=O)(=O)C3)n2)n1
InChIInChI=1S/C15H20N4O3S2/c1-9(2)13-6-12(14(20)17-15-16-10(3)7-23-15)18-19(13)11-4-5-24(21,22)8-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17,20)
InChIKeyCPORECVNUQLFSU-UHFFFAOYSA-N
XLogP2.38
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-3-tert-butyl-N-[4-(methanesulfonamidomethyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 56649049
N-(4,5-dimethylthiazol-2-yl)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 44065913
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
5-cyclopropyl-N-(4,5-dimethylthiazol-2-yl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 16849791
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
1,3-dimethyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 16952691
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

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide (CID 20997416) is 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide is Cc1csc(NC(=O)c2cc(C(C)C)n(C3CCS(=O)(=O)C3)n2)n1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is CPORECVNUQLFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-9(2)13-6-12(14(20)17-15-16-10(3)7-23-15)18-19(13)11-4-5-24(21,22)8-11/h6-7,9,11H,4-5,8H2,1-3H3,(H,16,17,20).
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide?
1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 20997416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).