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

C18H25N3OS — CID 119681392

IUPAC7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3OS/c19-12-7-2-1-6-10-17(22)20-13-11-16-14-23-18(21-16)15-8-4-3-5-9-15/h3-5,8-9,14H,1-2,6-7,10-13,19H2,(H,20,22)
InChIKeyBVJFNWMPHWPPKY-UHFFFAOYSA-N
MW331.48 g/mol
LogP3.38
Rot. Bonds10

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

7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide (PubChem CID 119681392) has the molecular formula C18H25N3OS and a molecular weight of 331.48 g/mol. Its IUPAC name is 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
PubChem CID119681392
Molecular FormulaC18H25N3OS
Molecular Weight331.48 g/mol
Exact Mass331.17
IUPAC Name7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide
SMILESNCCCCCCC(=O)NCCc1csc(-c2ccccc2)n1
InChIInChI=1S/C18H25N3OS/c19-12-7-2-1-6-10-17(22)20-13-11-16-14-23-18(21-16)15-8-4-3-5-9-15/h3-5,8-9,14H,1-2,6-7,10-13,19H2,(H,20,22)
InChIKeyBVJFNWMPHWPPKY-UHFFFAOYSA-N
XLogP3.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 53.38
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

4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 35343942
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
3-(furan-2-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71973739
N-[2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]ethyl]-3-phenylpropanamide
CID 7522122
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 71922792
4-(methylamino)-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]butanamide;hydrochloride
CID 119726944
2-hydroxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 162665630
1-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266965

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide (CID 119681392) is 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide is NCCCCCCC(=O)NCCc1csc(-c2ccccc2)n1.
What is the InChIKey of 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide?
The InChIKey is BVJFNWMPHWPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS/c19-12-7-2-1-6-10-17(22)20-13-11-16-14-23-18(21-16)15-8-4-3-5-9-15/h3-5,8-9,14H,1-2,6-7,10-13,19H2,(H,20,22).
What are the key properties of 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide?
7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide has a molecular weight of 331.48 g/mol, XLogP of 3.38, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]heptanamide is sourced from PubChem (CID 119681392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).