7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide

C19H26ClN3OS — CID 119812915

IUPAC7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide
SMILESCc1sc(C(C)NC(=O)CCCCCCN)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3OS/c1-13(22-17(24)7-5-3-4-6-12-21)19-23-18(14(2)25-19)15-8-10-16(20)11-9-15/h8-11,13H,3-7,12,21H2,1-2H3,(H,22,24)
InChIKeyFROWUAYZPLMYLP-UHFFFAOYSA-N
MW379.96 g/mol
LogP4.86
Rot. Bonds9

About 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide

7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide (PubChem CID 119812915) has the molecular formula C19H26ClN3OS and a molecular weight of 379.96 g/mol. Its IUPAC name is 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide
PubChem CID119812915
Molecular FormulaC19H26ClN3OS
Molecular Weight379.96 g/mol
Exact Mass379.15
IUPAC Name7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide
SMILESCc1sc(C(C)NC(=O)CCCCCCN)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H26ClN3OS/c1-13(22-17(24)7-5-3-4-6-12-21)19-23-18(14(2)25-19)15-8-10-16(20)11-9-15/h8-11,13H,3-7,12,21H2,1-2H3,(H,22,24)
InChIKeyFROWUAYZPLMYLP-UHFFFAOYSA-N
XLogP4.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.96
LogP ≤ 54.86
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

(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-4-methylpentanamide
CID 119812951
6-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81353655
6-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]hexanamide
CID 81355233
(2S)-2-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]-3,3-dimethylbutanamide
CID 119812931
1-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119812912
sodium 1-[2-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylate
CID 154848260
7-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide
CID 119681442
7-amino-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]heptanamide;hydrochloride
CID 119677240
6-amino-N-[1-(4-chlorophenyl)propan-2-yl]hexanamide
CID 43700876
6-amino-N-[1-(2-chlorophenyl)ethyl]hexanamide
CID 51041452
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-4-(methylamino)butanamide;hydrochloride
CID 119778537
4-amino-N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]butanamide
CID 119267039

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide (CID 119812915) is 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide is Cc1sc(C(C)NC(=O)CCCCCCN)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide?
The InChIKey is FROWUAYZPLMYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3OS/c1-13(22-17(24)7-5-3-4-6-12-21)19-23-18(14(2)25-19)15-8-10-16(20)11-9-15/h8-11,13H,3-7,12,21H2,1-2H3,(H,22,24).
What are the key properties of 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide?
7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide has a molecular weight of 379.96 g/mol, XLogP of 4.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]ethyl]heptanamide is sourced from PubChem (CID 119812915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).