N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C13H18N4OS — CID 24575342

IUPACN-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H18N4OS/c1-8-7-19-13(14-8)15-12(18)6-5-11-9(2)16-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,15,18)
InChIKeyOJLRNYGALCMDDF-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.37
Rot. Bonds4

About N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24575342) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24575342
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1csc(NC(=O)CCc2c(C)nn(C)c2C)n1
InChIInChI=1S/C13H18N4OS/c1-8-7-19-13(14-8)15-12(18)6-5-11-9(2)16-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,15,18)
InChIKeyOJLRNYGALCMDDF-UHFFFAOYSA-N
XLogP2.37
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1,3-thiazol-4-yl)-3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 3238939
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24611851
N-[4-(aminomethyl)-1,3-thiazol-2-yl]-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 56649132
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(4-methylthiazol-2-yl)propanamide
CID 135885906
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
3-(3,5-dimethyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-4-yl)-N-(thiazol-2-yl)propanamide
CID 135885905
3-(1-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 47298927
3-(2-amino-1,3-thiazol-4-yl)-N-({1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]cyclopropyl}methyl)propanamide
CID 72837161
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18130067
N-(1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 41527366

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24575342) is N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1csc(NC(=O)CCc2c(C)nn(C)c2C)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is OJLRNYGALCMDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-7-19-13(14-8)15-12(18)6-5-11-9(2)16-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,15,18).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 278.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24575342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).