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

C19H24FN3OS — CID 164622247

IUPAC4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide
SMILESO=C(CCCN1CCCCCC1)Nc1cnc(-c2ccccc2F)s1
InChIInChI=1S/C19H24FN3OS/c20-16-9-4-3-8-15(16)19-21-14-18(25-19)22-17(24)10-7-13-23-11-5-1-2-6-12-23/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,22,24)
InChIKeyMOTFFJFUAVCCRJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.54
Rot. Bonds6

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

4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide (PubChem CID 164622247) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide
PubChem CID164622247
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide
SMILESO=C(CCCN1CCCCCC1)Nc1cnc(-c2ccccc2F)s1
InChIInChI=1S/C19H24FN3OS/c20-16-9-4-3-8-15(16)19-21-14-18(25-19)22-17(24)10-7-13-23-11-5-1-2-6-12-23/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,22,24)
InChIKeyMOTFFJFUAVCCRJ-UHFFFAOYSA-N
XLogP4.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.54
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-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide?
The IUPAC name of 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide (CID 164622247) is 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide.
What is the SMILES notation for 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide?
The canonical SMILES for 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide is O=C(CCCN1CCCCCC1)Nc1cnc(-c2ccccc2F)s1.
What is the InChIKey of 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide?
The InChIKey is MOTFFJFUAVCCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c20-16-9-4-3-8-15(16)19-21-14-18(25-19)22-17(24)10-7-13-23-11-5-1-2-6-12-23/h3-4,8-9,14H,1-2,5-7,10-13H2,(H,22,24).
What are the key properties of 4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide?
4-(azepan-1-yl)-N-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide has a molecular weight of 361.49 g/mol, XLogP of 4.54, 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-(2-fluorophenyl)-1,3-thiazol-5-yl]butanamide is sourced from PubChem (CID 164622247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).