(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride

C15H20ClN3O2S2 — CID 119283859

IUPAC(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCOc1ccccc1-c1csc(NC(=O)[C@@H](N)CCSC)n1.Cl
InChIInChI=1S/C15H19N3O2S2.ClH/c1-20-13-6-4-3-5-10(13)12-9-22-15(17-12)18-14(19)11(16)7-8-21-2;/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,18,19);1H/t11-;/m0./s1
InChIKeyTYAWVSBBVBGDFW-MERQFXBCSA-N
MW373.93 g/mol
LogP3.26
Rot. Bonds7

About (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride

(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride (PubChem CID 119283859) has the molecular formula C15H20ClN3O2S2 and a molecular weight of 373.93 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
PubChem CID119283859
Molecular FormulaC15H20ClN3O2S2
Molecular Weight373.93 g/mol
Exact Mass373.07
IUPAC Name(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
SMILESCOc1ccccc1-c1csc(NC(=O)[C@@H](N)CCSC)n1.Cl
InChIInChI=1S/C15H19N3O2S2.ClH/c1-20-13-6-4-3-5-10(13)12-9-22-15(17-12)18-14(19)11(16)7-8-21-2;/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,18,19);1H/t11-;/m0./s1
InChIKeyTYAWVSBBVBGDFW-MERQFXBCSA-N
XLogP3.26
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.93
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride with MolForge

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Related Compounds

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CID 119273540
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CID 4003372
(2R)-2-amino-4-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 104906853
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
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CID 12689382
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
2-amino-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride
CID 119269970
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(methylamino)butanamide;hydrochloride
CID 119713306
(2S)-2-amino-N-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylsulfanylbutanamide
CID 54960202
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 155557257
2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119713341
(2R)-2-amino-N-(1,3-benzothiazol-2-yl)-4-methylsulfanylbutanamide
CID 104906860

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride (CID 119283859) is (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride is COc1ccccc1-c1csc(NC(=O)[C@@H](N)CCSC)n1.Cl.
What is the InChIKey of (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
The InChIKey is TYAWVSBBVBGDFW-MERQFXBCSA-N. The full InChI is InChI=1S/C15H19N3O2S2.ClH/c1-20-13-6-4-3-5-10(13)12-9-22-15(17-12)18-14(19)11(16)7-8-21-2;/h3-6,9,11H,7-8,16H2,1-2H3,(H,17,18,19);1H/t11-;/m0./s1.
What are the key properties of (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride?
(2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride has a molecular weight of 373.93 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide;hydrochloride is sourced from PubChem (CID 119283859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).