4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide

C19H25N3OS — CID 164614189

IUPAC4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide
SMILESO=C(CCCN1CCCCCC1)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H25N3OS/c23-17(11-8-14-22-12-6-1-2-7-13-22)21-18-15-20-19(24-18)16-9-4-3-5-10-16/h3-5,9-10,15H,1-2,6-8,11-14H2,(H,21,23)
InChIKeyKYGLCIGZWXDGKZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.40
Rot. Bonds6

About 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide

4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide (PubChem CID 164614189) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide
PubChem CID164614189
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide
SMILESO=C(CCCN1CCCCCC1)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C19H25N3OS/c23-17(11-8-14-22-12-6-1-2-7-13-22)21-18-15-20-19(24-18)16-9-4-3-5-10-16/h3-5,9-10,15H,1-2,6-8,11-14H2,(H,21,23)
InChIKeyKYGLCIGZWXDGKZ-UHFFFAOYSA-N
XLogP4.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide (CID 164614189) is 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide is O=C(CCCN1CCCCCC1)Nc1cnc(-c2ccccc2)s1.
What is the InChIKey of 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide?
The InChIKey is KYGLCIGZWXDGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c23-17(11-8-14-22-12-6-1-2-7-13-22)21-18-15-20-19(24-18)16-9-4-3-5-10-16/h3-5,9-10,15H,1-2,6-8,11-14H2,(H,21,23).
What are the key properties of 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide?
4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide has a molecular weight of 343.50 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide is sourced from PubChem (CID 164614189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).