2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C17H23N3O2S — CID 3743479

IUPAC2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(C(N)CC(C)C)n1
InChIInChI=1S/C17H23N3O2S/c1-11(2)8-13(18)17-20-14(10-23-17)16(21)19-9-12-6-4-5-7-15(12)22-3/h4-7,10-11,13H,8-9,18H2,1-3H3,(H,19,21)
InChIKeyADNYVYRMNLYSND-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.13
Rot. Bonds7

About 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 3743479) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID3743479
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)c1csc(C(N)CC(C)C)n1
InChIInChI=1S/C17H23N3O2S/c1-11(2)8-13(18)17-20-14(10-23-17)16(21)19-9-12-6-4-5-7-15(12)22-3/h4-7,10-11,13H,8-9,18H2,1-3H3,(H,19,21)
InChIKeyADNYVYRMNLYSND-UHFFFAOYSA-N
XLogP3.13
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3830982
N-[(2-methoxyphenyl)methyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694211
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(1-amino-3-methylbutyl)-N-[(3,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3695889
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569
tert-butyl N-[[4-[(2-methoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 67304205
N-[(2-methoxyphenyl)methyl]-2-[(4-methylnonanoylamino)methyl]-1,3-thiazole-4-carboxamide
CID 91476171
2-(1-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3757058
N-[(2-methoxyphenyl)methyl]-2-(pyrrolidine-1-carbonyl)-1,3-thiazole-4-carboxamide
CID 53158381
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(1-aminopropyl)-N-[(2-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3813364

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 3743479) is 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1ccccc1CNC(=O)c1csc(C(N)CC(C)C)n1.
What is the InChIKey of 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ADNYVYRMNLYSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-11(2)8-13(18)17-20-14(10-23-17)16(21)19-9-12-6-4-5-7-15(12)22-3/h4-7,10-11,13H,8-9,18H2,1-3H3,(H,19,21).
What are the key properties of 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 333.46 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-3-methylbutyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3743479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).