N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide

C15H17ClN2OS — CID 850571

IUPACN-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H17ClN2OS/c1-9-12(20-14(16)17-9)13(19)18-11-7-5-10(6-8-11)15(2,3)4/h5-8H,1-4H3,(H,18,19)
InChIKeyBXKKCLOTAHWJKM-UHFFFAOYSA-N
MW308.83 g/mol
LogP4.65
Rot. Bonds2

About N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide

N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 850571) has the molecular formula C15H17ClN2OS and a molecular weight of 308.83 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID850571
Molecular FormulaC15H17ClN2OS
Molecular Weight308.83 g/mol
Exact Mass308.08
IUPAC NameN-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cl)sc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H17ClN2OS/c1-9-12(20-14(16)17-9)13(19)18-11-7-5-10(6-8-11)15(2,3)4/h5-8H,1-4H3,(H,18,19)
InChIKeyBXKKCLOTAHWJKM-UHFFFAOYSA-N
XLogP4.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide (CID 850571) is N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(Cl)sc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BXKKCLOTAHWJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2OS/c1-9-12(20-14(16)17-9)13(19)18-11-7-5-10(6-8-11)15(2,3)4/h5-8H,1-4H3,(H,18,19).
What are the key properties of N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide?
N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 308.83 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-chloro-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 850571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).