(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

C15H19N3O2S — CID 63240236

IUPAC(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-9-21-14(18-10)6-7-17-15(20)13(16)8-11-2-4-12(19)5-3-11/h2-5,9,13,19H,6-8,16H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyNNGKTFHMYGBVCA-ZDUSSCGKSA-N
MW305.40 g/mol
LogP1.39
Rot. Bonds6

About (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide

(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (PubChem CID 63240236) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
PubChem CID63240236
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
SMILESCc1csc(CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)n1
InChIInChI=1S/C15H19N3O2S/c1-10-9-21-14(18-10)6-7-17-15(20)13(16)8-11-2-4-12(19)5-3-11/h2-5,9,13,19H,6-8,16H2,1H3,(H,17,20)/t13-/m0/s1
InChIKeyNNGKTFHMYGBVCA-ZDUSSCGKSA-N
XLogP1.39
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
2-amino-3-(4-hydroxyphenyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106415956
2-amino-3-methoxy-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 81089104
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]hexanamide
CID 63240116
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106416404
(2S)-2-amino-N-(2-hydroxyethyl)-3-(4-hydroxyphenyl)propanamide
CID 61155006
2-amino-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-phenylacetamide
CID 55175614
(2S)-2-amino-3-phenyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]propanamide
CID 119336013
(2S)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 61156108
(2R)-2-amino-N-(3-amino-3-oxopropyl)-3-(4-hydroxyphenyl)propanamide
CID 104904759
(2S)-2-amino-N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 106047974
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 104905125

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The IUPAC name of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide (CID 63240236) is (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The canonical SMILES for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is Cc1csc(CCNC(=O)[C@@H](N)Cc2ccc(O)cc2)n1.
What is the InChIKey of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
The InChIKey is NNGKTFHMYGBVCA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-9-21-14(18-10)6-7-17-15(20)13(16)8-11-2-4-12(19)5-3-11/h2-5,9,13,19H,6-8,16H2,1H3,(H,17,20)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide?
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 63240236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).