N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide

C14H16N4O3S2 — CID 164629893

IUPACN-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cscn1
InChIInChI=1S/C14H16N4O3S2/c19-14(12-6-22-8-15-12)16-13-5-11(9-1-2-9)17-18(13)10-3-4-23(20,21)7-10/h5-6,8-10H,1-4,7H2,(H,16,19)/t10-/m0/s1
InChIKeySUGFYPPKPFIEFF-JTQLQIEISA-N
MW352.44 g/mol
LogP1.83
Rot. Bonds4

About N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide

N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide (PubChem CID 164629893) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide
PubChem CID164629893
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cscn1
InChIInChI=1S/C14H16N4O3S2/c19-14(12-6-22-8-15-12)16-13-5-11(9-1-2-9)17-18(13)10-3-4-23(20,21)7-10/h5-6,8-10H,1-4,7H2,(H,16,19)/t10-/m0/s1
InChIKeySUGFYPPKPFIEFF-JTQLQIEISA-N
XLogP1.83
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-cyclopropyl-N-(4,5-dimethylthiazol-2-yl)-1-(1,1-dioxidotetrahydrothiophen-3-yl)-1H-pyrazole-3-carboxamide
CID 16849791
N-(5-cyclopentyl-1H-pyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 56793428
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
5-cyclopropyl-1-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 21008544
5-[(3-cyclopropyl-1-methylpyrazol-5-yl)amino]-2-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 90925263
[5-Amino-3-(8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone
CID 135306098
(5-Amino-3-piperidin-4-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
CID 135306105
[5-Amino-3-(8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazol-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146461038
(5-Amino-3-pyrrolidin-2-ylpyrazol-1-yl)-(1,3-thiazol-4-yl)methanone
CID 175789267
5-cyclopropyl-1-(1,1-dioxothiolan-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 21008545
Tert-butyl 4-[4-[(3-cyclopropyl-1-methylpyrazol-5-yl)carbamoyl]-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 23794096

Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide (CID 164629893) is N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)c1cscn1.
What is the InChIKey of N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SUGFYPPKPFIEFF-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N4O3S2/c19-14(12-6-22-8-15-12)16-13-5-11(9-1-2-9)17-18(13)10-3-4-23(20,21)7-10/h5-6,8-10H,1-4,7H2,(H,16,19)/t10-/m0/s1.
What are the key properties of N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide?
N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-[(3S)-1,1-dioxothiolan-3-yl]pyrazol-5-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 164629893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).