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

C12H16N4OS — CID 110474312

IUPAC2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cnn(C)c2)c(C)s1
InChIInChI=1S/C12H16N4OS/c1-8-11(15-9(2)18-8)12(17)13-5-4-10-6-14-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyMPAOPKDLPCFOAE-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.47
Rot. Bonds4

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

2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 110474312) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID110474312
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCCc2cnn(C)c2)c(C)s1
InChIInChI=1S/C12H16N4OS/c1-8-11(15-9(2)18-8)12(17)13-5-4-10-6-14-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,13,17)
InChIKeyMPAOPKDLPCFOAE-UHFFFAOYSA-N
XLogP1.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
6-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106551138
4-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116671491
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-5-sulfanylbenzamide
CID 107032871
4-hydroxy-3-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzamide
CID 103951812
ethyl 2-[2-(1-methylpyrazol-4-yl)ethylamino]-2-oxoacetate
CID 80689128
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
N-[2-(1-methylpyrazol-4-yl)ethyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 47045551
methyl 5-methyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-4-carboxylate
CID 113306967
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 110474312) is 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCCc2cnn(C)c2)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MPAOPKDLPCFOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-8-11(15-9(2)18-8)12(17)13-5-4-10-6-14-16(3)7-10/h6-7H,4-5H2,1-3H3,(H,13,17).
What are the key properties of 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide?
2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110474312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).