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

C12H16N4OS — CID 47317437

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C12H16N4OS/c1-7-11(18-9(3)14-7)8(2)15-12(17)10-5-13-16(4)6-10/h5-6,8H,1-4H3,(H,15,17)
InChIKeyMLYSSOMPYDNSGH-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.98
Rot. Bonds3

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

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 47317437) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID47317437
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCc1nc(C)c(C(C)NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C12H16N4OS/c1-7-11(18-9(3)14-7)8(2)15-12(17)10-5-13-16(4)6-10/h5-6,8H,1-4H3,(H,15,17)
InChIKeyMLYSSOMPYDNSGH-UHFFFAOYSA-N
XLogP1.98
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide (CID 47317437) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide is Cc1nc(C)c(C(C)NC(=O)c2cnn(C)c2)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is MLYSSOMPYDNSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-7-11(18-9(3)14-7)8(2)15-12(17)10-5-13-16(4)6-10/h5-6,8H,1-4H3,(H,15,17).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 47317437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).