N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C16H18N2OS — CID 17466495

IUPACN-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC(C)C2CC2)s1
InChIInChI=1S/C16H18N2OS/c1-10(12-8-9-12)17-16(19)15-14(18-11(2)20-15)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)
InChIKeyRAVHCTQTILJTEF-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.65
Rot. Bonds4

About N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 17466495) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID17466495
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccc2)c(C(=O)NC(C)C2CC2)s1
InChIInChI=1S/C16H18N2OS/c1-10(12-8-9-12)17-16(19)15-14(18-11(2)20-15)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,19)
InChIKeyRAVHCTQTILJTEF-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 17466495) is N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccc2)c(C(=O)NC(C)C2CC2)s1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RAVHCTQTILJTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10(12-8-9-12)17-16(19)15-14(18-11(2)20-15)13-6-4-3-5-7-13/h3-7,10,12H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 17466495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).