2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid

C17H16N2O3S — CID 177377307

IUPAC2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc2cc([C@@H](C)c3sc(N)nc3C(=O)O)ccc2c1
InChIInChI=1S/C17H16N2O3S/c1-9(15-14(16(20)21)19-17(18)23-15)10-3-4-12-8-13(22-2)6-5-11(12)7-10/h3-9H,1-2H3,(H2,18,19)(H,20,21)/t9-/m1/s1
InChIKeyKGHBWRDKJZSNOY-SECBINFHSA-N
MW328.39 g/mol
LogP3.74
Rot. Bonds4

About 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid

2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 177377307) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID177377307
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Name2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCOc1ccc2cc([C@@H](C)c3sc(N)nc3C(=O)O)ccc2c1
InChIInChI=1S/C17H16N2O3S/c1-9(15-14(16(20)21)19-17(18)23-15)10-3-4-12-8-13(22-2)6-5-11(12)7-10/h3-9H,1-2H3,(H2,18,19)(H,20,21)/t9-/m1/s1
InChIKeyKGHBWRDKJZSNOY-SECBINFHSA-N
XLogP3.74
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-amino-5-(4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 2768483
2-Amino-5-(2-naphthalen-1-ylethyl)-1,3-thiazole-4-carboxylic acid
CID 177377299
2-Azanyl-5-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719747
2-Azanyl-5-[(4-but-3-enoxyphenyl)methyl]-1,3-thiazole-4-carboxylic acid
CID 168719750
2-Amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 106510003
2-Amino-5-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 106510066
Methyl 2-amino-5-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxylate
CID 113843289
2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid;N-(cyclopropylmethyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]decan-1-amine
CID 157572761
2-Amino-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid;cyclopropylmethyl-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]azanide
CID 158079215
2-Amino-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid;cyclopropylmethyl-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]azanide
CID 158616738
2-amino-5-(3-nonylphenyl)-1,3-thiazole-4-carboxylic acid;N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,2,2-trifluoroethyl)decan-1-amine
CID 162107031
2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carboxylic acid;N-[2-(3,4-dimethoxyphenyl)ethyl]-2,2,2-trifluoroethanamine
CID 162621898

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid (CID 177377307) is 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid is COc1ccc2cc([C@@H](C)c3sc(N)nc3C(=O)O)ccc2c1.
What is the InChIKey of 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is KGHBWRDKJZSNOY-SECBINFHSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-9(15-14(16(20)21)19-17(18)23-15)10-3-4-12-8-13(22-2)6-5-11(12)7-10/h3-9H,1-2H3,(H2,18,19)(H,20,21)/t9-/m1/s1.
What are the key properties of 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid?
2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 177377307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).