N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide

C10H12N4OS — CID 19474712

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(C)c2)sc1C
InChIInChI=1S/C10H12N4OS/c1-6-7(2)16-10(12-6)13-9(15)8-4-11-14(3)5-8/h4-5H,1-3H3,(H,12,13,15)
InChIKeyBNTQDLGBZLCMOK-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.75
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 19474712) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID19474712
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCc1nc(NC(=O)c2cnn(C)c2)sc1C
InChIInChI=1S/C10H12N4OS/c1-6-7(2)16-10(12-6)13-9(15)8-4-11-14(3)5-8/h4-5H,1-3H3,(H,12,13,15)
InChIKeyBNTQDLGBZLCMOK-UHFFFAOYSA-N
XLogP1.75
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 19474712) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide is Cc1nc(NC(=O)c2cnn(C)c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BNTQDLGBZLCMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-7(2)16-10(12-6)13-9(15)8-4-11-14(3)5-8/h4-5H,1-3H3,(H,12,13,15).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 19474712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).