2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride

C16H24ClN3OS2 — CID 119696612

IUPAC2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCc1ccc(-c2csc(C)n2)s1.Cl
InChIInChI=1S/C16H23N3OS2.ClH/c1-4-10(2)15(17)16(20)18-8-7-12-5-6-14(22-12)13-9-21-11(3)19-13;/h5-6,9-10,15H,4,7-8,17H2,1-3H3,(H,18,20);1H
InChIKeyQDGJSNJWQNVLEQ-UHFFFAOYSA-N
MW373.98 g/mol
LogP3.63
Rot. Bonds7

About 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride

2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride (PubChem CID 119696612) has the molecular formula C16H24ClN3OS2 and a molecular weight of 373.98 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
PubChem CID119696612
Molecular FormulaC16H24ClN3OS2
Molecular Weight373.98 g/mol
Exact Mass373.10
IUPAC Name2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCCc1ccc(-c2csc(C)n2)s1.Cl
InChIInChI=1S/C16H23N3OS2.ClH/c1-4-10(2)15(17)16(20)18-8-7-12-5-6-14(22-12)13-9-21-11(3)19-13;/h5-6,9-10,15H,4,7-8,17H2,1-3H3,(H,18,20);1H
InChIKeyQDGJSNJWQNVLEQ-UHFFFAOYSA-N
XLogP3.63
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.98
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
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2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
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2-amino-2-(4-methylphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 120666877
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
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CID 119275087
2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
2-(2-methylphenoxy)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533248
3,4-difluoro-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 33212111
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride (CID 119696612) is 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride is CCC(C)C(N)C(=O)NCCc1ccc(-c2csc(C)n2)s1.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride?
The InChIKey is QDGJSNJWQNVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS2.ClH/c1-4-10(2)15(17)16(20)18-8-7-12-5-6-14(22-12)13-9-21-11(3)19-13;/h5-6,9-10,15H,4,7-8,17H2,1-3H3,(H,18,20);1H.
What are the key properties of 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride?
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride has a molecular weight of 373.98 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119696612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).