N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide

C18H19ClN4O2S — CID 137372326

IUPACN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)Nc3cc(C(C)(C)C)on3)cs2)cc1Cl
InChIInChI=1S/C18H19ClN4O2S/c1-10-5-6-11(7-12(10)19)20-17-21-13(9-26-17)16(24)22-15-8-14(25-23-15)18(2,3)4/h5-9H,1-4H3,(H,20,21)(H,22,23,24)
InChIKeyLLXAMISJTOZVIT-UHFFFAOYSA-N
MW390.90 g/mol
LogP5.39
Rot. Bonds4

About N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide (PubChem CID 137372326) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide
PubChem CID137372326
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC NameN-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(Nc2nc(C(=O)Nc3cc(C(C)(C)C)on3)cs2)cc1Cl
InChIInChI=1S/C18H19ClN4O2S/c1-10-5-6-11(7-12(10)19)20-17-21-13(9-26-17)16(24)22-15-8-14(25-23-15)18(2,3)4/h5-9H,1-4H3,(H,20,21)(H,22,23,24)
InChIKeyLLXAMISJTOZVIT-UHFFFAOYSA-N
XLogP5.39
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.90
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(4-chloroanilino)-N-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137372046
2-bromo-N-(5-tert-butyl-1,2-oxazol-3-yl)-1,3-thiazole-4-carboxamide
CID 137390387
4-chloro-N-(3-chloro-4-methylphenyl)-1,3-thiazol-2-amine
CID 83152094
2-(3,4-dimethylanilino)-1,3-thiazole-4-carboxylic acid
CID 79024072
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955474
methyl 3-[2-(3-chloro-4-methylanilino)-1,3-thiazol-4-yl]propanoate
CID 107039867
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoylamino]phenyl]thiadiazole-4-carboxamide
CID 59380993
N-[4-[(5-tert-butyl-1,2-oxazol-3-yl)carbamoyl]phenyl]-6-chloropyridine-2-carboxamide
CID 59420530
N-(5-tert-butyl-1,2-oxazol-3-yl)-2,4-dichlorobenzamide
CID 17173901
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
2-[[2-(3,4-dichloroanilino)-1,3-thiazole-4-carbonyl]amino]ethyl-diethylazanium
CID 7320615
5-tert-butyl-N-(3-chloro-4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 73051560

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide (CID 137372326) is N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide is Cc1ccc(Nc2nc(C(=O)Nc3cc(C(C)(C)C)on3)cs2)cc1Cl.
What is the InChIKey of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide?
The InChIKey is LLXAMISJTOZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-10-5-6-11(7-12(10)19)20-17-21-13(9-26-17)16(24)22-15-8-14(25-23-15)18(2,3)4/h5-9H,1-4H3,(H,20,21)(H,22,23,24).
What are the key properties of N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide?
N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide has a molecular weight of 390.90 g/mol, XLogP of 5.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(3-chloro-4-methylanilino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 137372326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).