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

C18H17N3OS — CID 23644844

IUPACN-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1scnc1CCc1ccncc1
InChIInChI=1S/C18H17N3OS/c1-13-4-2-3-5-15(13)21-18(22)17-16(20-12-23-17)7-6-14-8-10-19-11-9-14/h2-5,8-12H,6-7H2,1H3,(H,21,22)
InChIKeyCTLMDBPBGZGGPL-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.88
Rot. Bonds5

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

N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 23644844) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID23644844
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC NameN-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCc1ccccc1NC(=O)c1scnc1CCc1ccncc1
InChIInChI=1S/C18H17N3OS/c1-13-4-2-3-5-15(13)21-18(22)17-16(20-12-23-17)7-6-14-8-10-19-11-9-14/h2-5,8-12H,6-7H2,1H3,(H,21,22)
InChIKeyCTLMDBPBGZGGPL-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-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 23644844) is N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is Cc1ccccc1NC(=O)c1scnc1CCc1ccncc1.
What is the InChIKey of N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is CTLMDBPBGZGGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-13-4-2-3-5-15(13)21-18(22)17-16(20-12-23-17)7-6-14-8-10-19-11-9-14/h2-5,8-12H,6-7H2,1H3,(H,21,22).
What are the key properties of N-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-(2-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-(2-methylphenyl)-4-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 23644844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).