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

C15H22ClN3OS2 — CID 119696604

IUPAC2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCc1ccc(-c2csc(C)n2)s1.Cl
InChIInChI=1S/C15H21N3OS2.ClH/c1-10(8-16-3)15(19)17-7-6-12-4-5-14(21-12)13-9-20-11(2)18-13;/h4-5,9-10,16H,6-8H2,1-3H3,(H,17,19);1H
InChIKeyFDNDPBNPBNLZOB-UHFFFAOYSA-N
MW359.95 g/mol
LogP3.12
Rot. Bonds7

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

2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride (PubChem CID 119696604) has the molecular formula C15H22ClN3OS2 and a molecular weight of 359.95 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride
PubChem CID119696604
Molecular FormulaC15H22ClN3OS2
Molecular Weight359.95 g/mol
Exact Mass359.09
IUPAC Name2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCCc1ccc(-c2csc(C)n2)s1.Cl
InChIInChI=1S/C15H21N3OS2.ClH/c1-10(8-16-3)15(19)17-7-6-12-4-5-14(21-12)13-9-20-11(2)18-13;/h4-5,9-10,16H,6-8H2,1-3H3,(H,17,19);1H
InChIKeyFDNDPBNPBNLZOB-UHFFFAOYSA-N
XLogP3.12
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.95
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 119696595
2-amino-3-methyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]pentanamide;hydrochloride
CID 119696612
2-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide;hydrochloride
CID 119275088
(2S)-2-amino-3,3-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]butanamide
CID 119696599
2-methoxy-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 47014812
2-amino-2-(4-methylphenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 120666877
3-amino-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
CID 119275087
3,5-dimethyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]benzamide
CID 27294304
2-(4-bromophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]acetamide
CID 24533251
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]naphthalene-1-carboxamide
CID 18284447
3-(2-fluorophenyl)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride (CID 119696604) is 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride is CNCC(C)C(=O)NCCc1ccc(-c2csc(C)n2)s1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
The InChIKey is FDNDPBNPBNLZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS2.ClH/c1-10(8-16-3)15(19)17-7-6-12-4-5-14(21-12)13-9-20-11(2)18-13;/h4-5,9-10,16H,6-8H2,1-3H3,(H,17,19);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride has a molecular weight of 359.95 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119696604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).