2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide

C19H26N2OS — CID 143281454

IUPAC2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1ccc(-c2nc(C)c(C(=O)N(C)CCC)s2)cc1
InChIInChI=1S/C19H26N2OS/c1-5-7-8-15-9-11-16(12-10-15)18-20-14(3)17(23-18)19(22)21(4)13-6-2/h9-12H,5-8,13H2,1-4H3
InChIKeyAWFPJHIKTSGWAT-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.94
Rot. Bonds7

About 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide

2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 143281454) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID143281454
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC Name2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1ccc(-c2nc(C)c(C(=O)N(C)CCC)s2)cc1
InChIInChI=1S/C19H26N2OS/c1-5-7-8-15-9-11-16(12-10-15)18-20-14(3)17(23-18)19(22)21(4)13-6-2/h9-12H,5-8,13H2,1-4H3
InChIKeyAWFPJHIKTSGWAT-UHFFFAOYSA-N
XLogP4.94
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide (CID 143281454) is 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide is CCCCc1ccc(-c2nc(C)c(C(=O)N(C)CCC)s2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is AWFPJHIKTSGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-5-7-8-15-9-11-16(12-10-15)18-20-14(3)17(23-18)19(22)21(4)13-6-2/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide?
2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 330.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N,4-dimethyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 143281454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).