(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

C19H24FN3OS — CID 78850827

IUPAC(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCCCc1nc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cs1
InChIInChI=1S/C19H24FN3OS/c1-2-5-18-21-17(14-25-18)13-22-8-4-9-23(11-10-22)19(24)15-6-3-7-16(20)12-15/h3,6-7,12,14H,2,4-5,8-11,13H2,1H3
InChIKeyRIYQPBXHZBIGAS-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.58
Rot. Bonds5

About (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone

(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone (PubChem CID 78850827) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
PubChem CID78850827
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
SMILESCCCc1nc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cs1
InChIInChI=1S/C19H24FN3OS/c1-2-5-18-21-17(14-25-18)13-22-8-4-9-23(11-10-22)19(24)15-6-3-7-16(20)12-15/h3,6-7,12,14H,2,4-5,8-11,13H2,1H3
InChIKeyRIYQPBXHZBIGAS-UHFFFAOYSA-N
XLogP3.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone with MolForge

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Related Compounds

(3-fluorophenyl)-[4-[(4-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780114
furan-2-yl-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 134052464
(3,4-dimethylphenyl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone;formic acid
CID 154920153
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-(3-iodophenyl)methanone
CID 95752516
3-[[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 122028616
[4-[(4-ethylphenyl)methyl]piperazin-1-yl]-(3-fluorophenyl)methanone
CID 764804
(3-methylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470610
(2-propyl-1,3-thiazol-4-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 70735530
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 134045304
2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]acetonitrile
CID 78860879
(4-fluorophenyl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1,4-diazepan-1-yl]methanone
CID 134001270

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone (CID 78850827) is (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone is CCCc1nc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)cs1.
What is the InChIKey of (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
The InChIKey is RIYQPBXHZBIGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-2-5-18-21-17(14-25-18)13-22-8-4-9-23(11-10-22)19(24)15-6-3-7-16(20)12-15/h3,6-7,12,14H,2,4-5,8-11,13H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone?
(3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone has a molecular weight of 361.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-[(2-propyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 78850827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).