(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide

C19H23FN4OS — CID 126434486

IUPAC(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide
SMILESO=C(NCc1cn2c(n1)SCC2)N1CCCCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H23FN4OS/c20-15-6-4-5-14(11-15)17-7-2-1-3-8-24(17)18(25)21-12-16-13-23-9-10-26-19(23)22-16/h4-6,11,13,17H,1-3,7-10,12H2,(H,21,25)/t17-/m1/s1
InChIKeyFMBDPTQMYGTKON-QGZVFWFLSA-N
MW374.49 g/mol
LogP3.95
Rot. Bonds3

About (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide

(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide (PubChem CID 126434486) has the molecular formula C19H23FN4OS and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide
PubChem CID126434486
Molecular FormulaC19H23FN4OS
Molecular Weight374.49 g/mol
Exact Mass374.16
IUPAC Name(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide
SMILESO=C(NCc1cn2c(n1)SCC2)N1CCCCC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C19H23FN4OS/c20-15-6-4-5-14(11-15)17-7-2-1-3-8-24(17)18(25)21-12-16-13-23-9-10-26-19(23)22-16/h4-6,11,13,17H,1-3,7-10,12H2,(H,21,25)/t17-/m1/s1
InChIKeyFMBDPTQMYGTKON-QGZVFWFLSA-N
XLogP3.95
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide?
The IUPAC name of (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide (CID 126434486) is (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide?
The canonical SMILES for (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide is O=C(NCc1cn2c(n1)SCC2)N1CCCCC[C@@H]1c1cccc(F)c1.
What is the InChIKey of (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide?
The InChIKey is FMBDPTQMYGTKON-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23FN4OS/c20-15-6-4-5-14(11-15)17-7-2-1-3-8-24(17)18(25)21-12-16-13-23-9-10-26-19(23)22-16/h4-6,11,13,17H,1-3,7-10,12H2,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide?
(2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(3-fluorophenyl)azepane-1-carboxamide is sourced from PubChem (CID 126434486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).