4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide

C19H23F2N3OS — CID 164609998

IUPAC4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
SMILESO=C(CCCN1CCCCCC1)Nc1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C19H23F2N3OS/c20-15-8-7-14(12-16(15)21)19-22-13-18(26-19)23-17(25)6-5-11-24-9-3-1-2-4-10-24/h7-8,12-13H,1-6,9-11H2,(H,23,25)
InChIKeyMKFBABJRXQJZIW-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.68
Rot. Bonds6

About 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide

4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide (PubChem CID 164609998) has the molecular formula C19H23F2N3OS and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
PubChem CID164609998
Molecular FormulaC19H23F2N3OS
Molecular Weight379.48 g/mol
Exact Mass379.15
IUPAC Name4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
SMILESO=C(CCCN1CCCCCC1)Nc1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C19H23F2N3OS/c20-15-8-7-14(12-16(15)21)19-22-13-18(26-19)23-17(25)6-5-11-24-9-3-1-2-4-10-24/h7-8,12-13H,1-6,9-11H2,(H,23,25)
InChIKeyMKFBABJRXQJZIW-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(2,4-Difluorophenyl)thiazol-5-yl)-4-(1,4-oxazepan-4-yl)butanamide
CID 162366982
N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]-4-piperidin-1-ylbutanamide
CID 164610288
4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164622247
4-(azepan-1-yl)-N-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164622624
4-(azepan-1-yl)-N-[2-(2,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164626821
4-(azepan-1-yl)-N-[2-(3-fluorophenyl)-1,3-thiazol-5-yl]butanamide
CID 164613417
4-(azepan-1-yl)-N-(2-phenyl-1,3-thiazol-5-yl)butanamide
CID 164614189
2-Phenyl-1,3-thiazol-5-amine
CID 13152222
tert-butyl N-(2-phenyl-1,3-thiazol-5-yl)carbamate
CID 119057000
1-[(3-Fluorophenyl)methyl]-5-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]azepan-2-one
CID 56855311
1-[(2,4-Difluorophenyl)methyl]-5-[methyl-[1-(1,3-thiazol-2-yl)ethyl]amino]azepan-2-one
CID 126466843
1-(1-Acetylpiperidin-4-yl)-3-[2-(3,5-difluorophenyl)-1,3-thiazol-5-yl]-1-methylurea
CID 20829827

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide (CID 164609998) is 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide is O=C(CCCN1CCCCCC1)Nc1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide?
The InChIKey is MKFBABJRXQJZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3OS/c20-15-8-7-14(12-16(15)21)19-22-13-18(26-19)23-17(25)6-5-11-24-9-3-1-2-4-10-24/h7-8,12-13H,1-6,9-11H2,(H,23,25).
What are the key properties of 4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide?
4-(azepan-1-yl)-N-[2-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide has a molecular weight of 379.48 g/mol, XLogP of 4.68, 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-(3,4-difluorophenyl)-1,3-thiazol-5-yl]butanamide is sourced from PubChem (CID 164609998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).