N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C18H17N3OS — CID 23644843

IUPACN-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2scnc2CCc2ccncc2)c1
InChIInChI=1S/C18H17N3OS/c1-13-3-2-4-15(11-13)21-18(22)17-16(20-12-23-17)6-5-14-7-9-19-10-8-14/h2-4,7-12H,5-6H2,1H3,(H,21,22)
InChIKeyZWYIJBSDKBGWSF-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds5

About N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644843) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644843
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)c2scnc2CCc2ccncc2)c1
InChIInChI=1S/C18H17N3OS/c1-13-3-2-4-15(11-13)21-18(22)17-16(20-12-23-17)6-5-14-7-9-19-10-8-14/h2-4,7-12H,5-6H2,1H3,(H,21,22)
InChIKeyZWYIJBSDKBGWSF-UHFFFAOYSA-N
XLogP3.88
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644843) is N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)c2scnc2CCc2ccncc2)c1.
What is the InChIKey of N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is ZWYIJBSDKBGWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-3-2-4-15(11-13)21-18(22)17-16(20-12-23-17)6-5-14-7-9-19-10-8-14/h2-4,7-12H,5-6H2,1H3,(H,21,22).
What are the key properties of N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).