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

C18H26ClN3O2S — CID 119677240

IUPAC7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
SMILESCOc1ccc(-c2nc(NC(=O)CCCCCCN)sc2C)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-13-17(14-8-10-15(23-2)11-9-14)21-18(24-13)20-16(22)7-5-3-4-6-12-19;/h8-11H,3-7,12,19H2,1-2H3,(H,20,21,22);1H
InChIKeyHTYQWPCLQFERAU-UHFFFAOYSA-N
MW383.95 g/mol
LogP4.40
Rot. Bonds9

About 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride

7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride (PubChem CID 119677240) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
PubChem CID119677240
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC Name7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
SMILESCOc1ccc(-c2nc(NC(=O)CCCCCCN)sc2C)cc1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-13-17(14-8-10-15(23-2)11-9-14)21-18(24-13)20-16(22)7-5-3-4-6-12-19;/h8-11H,3-7,12,19H2,1-2H3,(H,20,21,22);1H
InChIKeyHTYQWPCLQFERAU-UHFFFAOYSA-N
XLogP4.40
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119264694
6-(aminosulfanylamino)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]hexanamide
CID 143593087
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 3323337
3-(2,5-dimethoxyphenyl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 38041071
3-(2-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 112763459
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
2-amino-N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 39177185
3-amino-N-[4-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methyl-1,3-thiazol-2-yl]propanamide
CID 39183325
(4R)-4-hydroxy-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-4-phenylbutanamide
CID 126211741

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride (CID 119677240) is 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride is COc1ccc(-c2nc(NC(=O)CCCCCCN)sc2C)cc1.Cl.
What is the InChIKey of 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride?
The InChIKey is HTYQWPCLQFERAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-13-17(14-8-10-15(23-2)11-9-14)21-18(24-13)20-16(22)7-5-3-4-6-12-19;/h8-11H,3-7,12,19H2,1-2H3,(H,20,21,22);1H.
What are the key properties of 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride?
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 4.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride is sourced from PubChem (CID 119677240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).