3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

C18H20N4OS — CID 30747923

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-4-6-15(7-5-12)16-11-24-18(19-16)20-17(23)8-9-22-14(3)10-13(2)21-22/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,23)
InChIKeyKLPVCYJGFMGFEJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.96
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 30747923) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID30747923
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3nc(C)cc3C)n2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-4-6-15(7-5-12)16-11-24-18(19-16)20-17(23)8-9-22-14(3)10-13(2)21-22/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,23)
InChIKeyKLPVCYJGFMGFEJ-UHFFFAOYSA-N
XLogP3.96
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7694168
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 24672665
[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284492
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide;hydrochloride
CID 163326085
2-(cyclopropylmethylamino)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 119676910
N-(2,5-dimethylpyrazol-3-yl)-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 25498040
N-(2,6-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 19553862
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
2-(2-methylindol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide (CID 30747923) is 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is Cc1ccc(-c2csc(NC(=O)CCn3nc(C)cc3C)n2)cc1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is KLPVCYJGFMGFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-4-6-15(7-5-12)16-11-24-18(19-16)20-17(23)8-9-22-14(3)10-13(2)21-22/h4-7,10-11H,8-9H2,1-3H3,(H,19,20,23).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 30747923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).