N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C17H23N3O2S — CID 119625993

IUPACN-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NCC(C)(C)N)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-5-22-13-8-6-12(7-9-13)16-20-11(2)14(23-16)15(21)19-10-17(3,4)18/h6-9H,5,10,18H2,1-4H3,(H,19,21)
InChIKeyAVQFNAKFRQLVIH-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.98
Rot. Bonds6

About N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 119625993) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID119625993
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCOc1ccc(-c2nc(C)c(C(=O)NCC(C)(C)N)s2)cc1
InChIInChI=1S/C17H23N3O2S/c1-5-22-13-8-6-12(7-9-13)16-20-11(2)14(23-16)15(21)19-10-17(3,4)18/h6-9H,5,10,18H2,1-4H3,(H,19,21)
InChIKeyAVQFNAKFRQLVIH-UHFFFAOYSA-N
XLogP2.98
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119997436
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119565019
2-(4-ethoxyphenyl)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 51172455
2-(4-ethoxyphenyl)-4-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 68629951
2-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]-2-methylpropanoic acid
CID 119200059
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 60614790
2-(4-ethoxyphenyl)-4-methyl-N-(2-piperazin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 119445035
2-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 82427094
2-(4-methoxyphenyl)-4-methyl-N-[2-(4-methylphenoxy)ethyl]-1,3-thiazole-5-carboxamide
CID 9456699
3-[[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-methylamino]propanoic acid
CID 119232512
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 119625993) is N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCOc1ccc(-c2nc(C)c(C(=O)NCC(C)(C)N)s2)cc1.
What is the InChIKey of N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is AVQFNAKFRQLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-5-22-13-8-6-12(7-9-13)16-20-11(2)14(23-16)15(21)19-10-17(3,4)18/h6-9H,5,10,18H2,1-4H3,(H,19,21).
What are the key properties of N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 119625993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).