N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

C12H16N4OS — CID 31851771

IUPACN,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)Cc2cnn(C)c2)s1
InChIInChI=1S/C12H16N4OS/c1-8-11(18-9(2)14-8)12(17)15(3)6-10-5-13-16(4)7-10/h5,7H,6H2,1-4H3
InChIKeyVBYHKAZXJBYOFF-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.77
Rot. Bonds3

About N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide

N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 31851771) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID31851771
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)N(C)Cc2cnn(C)c2)s1
InChIInChI=1S/C12H16N4OS/c1-8-11(18-9(2)14-8)12(17)15(3)6-10-5-13-16(4)7-10/h5,7H,6H2,1-4H3
InChIKeyVBYHKAZXJBYOFF-UHFFFAOYSA-N
XLogP1.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 31851771) is N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)N(C)Cc2cnn(C)c2)s1.
What is the InChIKey of N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VBYHKAZXJBYOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-11(18-9(2)14-8)12(17)15(3)6-10-5-13-16(4)7-10/h5,7H,6H2,1-4H3.
What are the key properties of N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide?
N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,4-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 31851771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).