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

C13H18N4OS — CID 24575357

IUPACN-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H18N4OS/c1-8-7-14-13(19-8)15-12(18)6-5-11-9(2)16-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,15,18)
InChIKeyJIFYPVSHJDGPQX-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.37
Rot. Bonds4

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

N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 24575357) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID24575357
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1cnc(NC(=O)CCc2c(C)nn(C)c2C)s1
InChIInChI=1S/C13H18N4OS/c1-8-7-14-13(19-8)15-12(18)6-5-11-9(2)16-17(4)10(11)3/h7H,5-6H2,1-4H3,(H,14,15,18)
InChIKeyJIFYPVSHJDGPQX-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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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 24575357) is N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1cnc(NC(=O)CCc2c(C)nn(C)c2C)s1.
What is the InChIKey of N-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JIFYPVSHJDGPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8-7-14-13(19-8)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-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-(5-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-(5-methyl-1,3-thiazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 24575357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).