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

C10H12N4OS — CID 601642

IUPAC3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide
SMILESCNC(=O)n1ccc(-c2sc(C)nc2C)n1
InChIInChI=1S/C10H12N4OS/c1-6-9(16-7(2)12-6)8-4-5-14(13-8)10(15)11-3/h4-5H,1-3H3,(H,11,15)
InChIKeyPMMRCWLRGKXVLG-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.81
Rot. Bonds1

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

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide (PubChem CID 601642) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide
PubChem CID601642
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide
SMILESCNC(=O)n1ccc(-c2sc(C)nc2C)n1
InChIInChI=1S/C10H12N4OS/c1-6-9(16-7(2)12-6)8-4-5-14(13-8)10(15)11-3/h4-5H,1-3H3,(H,11,15)
InChIKeyPMMRCWLRGKXVLG-UHFFFAOYSA-N
XLogP1.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide?
The IUPAC name of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide (CID 601642) is 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide.
What is the SMILES notation for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide?
The canonical SMILES for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide is CNC(=O)n1ccc(-c2sc(C)nc2C)n1.
What is the InChIKey of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide?
The InChIKey is PMMRCWLRGKXVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-6-9(16-7(2)12-6)8-4-5-14(13-8)10(15)11-3/h4-5H,1-3H3,(H,11,15).
What are the key properties of 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide?
3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide has a molecular weight of 236.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylpyrazole-1-carboxamide is sourced from PubChem (CID 601642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).