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

C15H19N3OS — CID 62794412

IUPAC2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3OS/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,(H2,16,17)(H,18,19)
InChIKeyOZPZLOZJNCOTLV-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.58
Rot. Bonds2

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

2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 62794412) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID62794412
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(N)sc1C(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H19N3OS/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,(H2,16,17)(H,18,19)
InChIKeyOZPZLOZJNCOTLV-UHFFFAOYSA-N
XLogP3.58
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
2-amino-N-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793569
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 735558
2-amino-N-[4-(2-hydroxyethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55116150
2-amino-N-[4-[(dimethylamino)methyl]phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62794096
2-amino-4-methyl-N-naphthalen-2-yl-1,3-thiazole-5-carboxamide
CID 62794262
(E)-3-[4-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 115342282
2-amino-N-[4-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62793426
2-amino-4-methyl-N-[4-(sulfamoylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62793257
2-amino-N-(2-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62792550
2-amino-N-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 62793227
2-amino-N-(3-fluoro-5-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79049476

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 62794412) is 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(N)sc1C(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is OZPZLOZJNCOTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/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,(H2,16,17)(H,18,19).
What are the key properties of 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-tert-butylphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 62794412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).