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

C16H20ClN3OS — CID 119676852

IUPAC7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C16H20ClN3OS/c17-13-8-5-4-7-12(13)14-11-22-16(19-14)20-15(21)9-3-1-2-6-10-18/h4-5,7-8,11H,1-3,6,9-10,18H2,(H,19,20,21)
InChIKeySJPLEVWNKDSQIY-UHFFFAOYSA-N
MW337.88 g/mol
LogP4.31
Rot. Bonds8

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

7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide (PubChem CID 119676852) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
PubChem CID119676852
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide
SMILESNCCCCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1
InChIInChI=1S/C16H20ClN3OS/c17-13-8-5-4-7-12(13)14-11-22-16(19-14)20-15(21)9-3-1-2-6-10-18/h4-5,7-8,11H,1-3,6,9-10,18H2,(H,19,20,21)
InChIKeySJPLEVWNKDSQIY-UHFFFAOYSA-N
XLogP4.31
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 54.31
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

N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
N-[4-[2-[(2-aminoacetyl)amino]phenyl]-1,3-thiazol-2-yl]-N'-hydroxyoctanediamide
CID 25030885
7-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119689440
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-hydroxyphenyl)acetamide
CID 78838502
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]pentanamide
CID 2372983
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2-(2-chlorophenyl)sulfanyl-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4830075
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
2-(2-bromo-4-chlorophenoxy)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 19203232
(Z)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 46235790

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide?
The IUPAC name of 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide (CID 119676852) is 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide?
The canonical SMILES for 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide is NCCCCCCC(=O)Nc1nc(-c2ccccc2Cl)cs1.
What is the InChIKey of 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide?
The InChIKey is SJPLEVWNKDSQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c17-13-8-5-4-7-12(13)14-11-22-16(19-14)20-15(21)9-3-1-2-6-10-18/h4-5,7-8,11H,1-3,6,9-10,18H2,(H,19,20,21).
What are the key properties of 7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide?
7-amino-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide has a molecular weight of 337.88 g/mol, XLogP of 4.31, 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-(2-chlorophenyl)-1,3-thiazol-2-yl]heptanamide is sourced from PubChem (CID 119676852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).