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

C16H22ClN3OS — CID 119686436

IUPAC7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H21N3OS.ClH/c17-10-4-2-1-3-5-15(20)19-14-8-6-13(7-9-14)16-18-11-12-21-16;/h6-9,11-12H,1-5,10,17H2,(H,19,20);1H
InChIKeyLQHVDIPRGWSNHH-UHFFFAOYSA-N
MW339.89 g/mol
LogP4.08
Rot. Bonds8

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

7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride (PubChem CID 119686436) has the molecular formula C16H22ClN3OS and a molecular weight of 339.89 g/mol. Its IUPAC name is 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
PubChem CID119686436
Molecular FormulaC16H22ClN3OS
Molecular Weight339.89 g/mol
Exact Mass339.12
IUPAC Name7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C16H21N3OS.ClH/c17-10-4-2-1-3-5-15(20)19-14-8-6-13(7-9-14)16-18-11-12-21-16;/h6-9,11-12H,1-5,10,17H2,(H,19,20);1H
InChIKeyLQHVDIPRGWSNHH-UHFFFAOYSA-N
XLogP4.08
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.89
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 114014790
5-amino-N-[4-(1,3-thiazol-2-yl)phenyl]hexanamide
CID 82852078
2-amino-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]acetamide
CID 60926946
3-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
CID 51108495
5-(dithiolan-3-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]pentanamide
CID 24648854
N-[4-(1,3-thiazol-2-yl)phenyl]-3-thiophen-2-ylpropanamide
CID 9114606
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
7-amino-N-[4-(1H-imidazol-2-yl)phenyl]heptanamide
CID 119871823
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
2-(propan-2-ylamino)-N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 54862203
N-(4-methylphenyl)-2-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]sulfanylacetamide
CID 27701903

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride (CID 119686436) is 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride is Cl.NCCCCCCC(=O)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride?
The InChIKey is LQHVDIPRGWSNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS.ClH/c17-10-4-2-1-3-5-15(20)19-14-8-6-13(7-9-14)16-18-11-12-21-16;/h6-9,11-12H,1-5,10,17H2,(H,19,20);1H.
What are the key properties of 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride?
7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride has a molecular weight of 339.89 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-(1,3-thiazol-2-yl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119686436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).