N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C7H6N4OS — CID 19577248

IUPACN-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1ccn[nH]1
InChIInChI=1S/C7H6N4OS/c12-6(5-1-2-9-11-5)10-7-8-3-4-13-7/h1-4H,(H,9,11)(H,8,10,12)
InChIKeyUPEJASJLMROVAC-UHFFFAOYSA-N
MW194.22 g/mol
LogP1.12
Rot. Bonds2

About N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 19577248) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID19577248
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC NameN-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nccs1)c1ccn[nH]1
InChIInChI=1S/C7H6N4OS/c12-6(5-1-2-9-11-5)10-7-8-3-4-13-7/h1-4H,(H,9,11)(H,8,10,12)
InChIKeyUPEJASJLMROVAC-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 19577248) is N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1nccs1)c1ccn[nH]1.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UPEJASJLMROVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c12-6(5-1-2-9-11-5)10-7-8-3-4-13-7/h1-4H,(H,9,11)(H,8,10,12).
What are the key properties of N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19577248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).