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

C18H26ClN3O2S — CID 120500956

IUPAC3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)C(C)C(C)N)s2)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-10(11(2)19)17(22)20-12(3)16-13(4)21-18(24-16)14-6-8-15(23-5)9-7-14;/h6-12H,19H2,1-5H3,(H,20,22);1H
InChIKeyIFQDSINSDMBMRZ-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.71
Rot. Bonds6

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

3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride (PubChem CID 120500956) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
PubChem CID120500956
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride
SMILESCOc1ccc(-c2nc(C)c(C(C)NC(=O)C(C)C(C)N)s2)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-10(11(2)19)17(22)20-12(3)16-13(4)21-18(24-16)14-6-8-15(23-5)9-7-14;/h6-12H,19H2,1-5H3,(H,20,22);1H
InChIKeyIFQDSINSDMBMRZ-UHFFFAOYSA-N
XLogP3.71
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-methoxy-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 120989885
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119787457
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide;hydrochloride
CID 120562788
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]pentanamide
CID 120562789
4-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]butanamide;hydrochloride
CID 119325852
2-hydroxy-N-[(1R)-1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 99834592
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide;hydrochloride
CID 120990530
2-amino-N-[1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methoxypropanamide
CID 120990531
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-methylpentanamide;hydrochloride
CID 119778553
(2S)-2-amino-3,3-dimethyl-N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]butanamide;hydrochloride
CID 119750099
N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-3-carboxamide
CID 119325847

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride (CID 120500956) is 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride is COc1ccc(-c2nc(C)c(C(C)NC(=O)C(C)C(C)N)s2)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride?
The InChIKey is IFQDSINSDMBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-10(11(2)19)17(22)20-12(3)16-13(4)21-18(24-16)14-6-8-15(23-5)9-7-14;/h6-12H,19H2,1-5H3,(H,20,22);1H.
What are the key properties of 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride?
3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylbutanamide;hydrochloride is sourced from PubChem (CID 120500956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).