(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one

C18H23N3OS — CID 95581131

IUPAC(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one
SMILESCC(C)c1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)cs1
InChIInChI=1S/C18H23N3OS/c1-13(2)18-20-15(12-23-18)11-21-9-8-19-17(22)10-16(21)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyVIZPVJRCEIYTQU-INIZCTEOSA-N
MW329.47 g/mol
LogP3.33
Rot. Bonds4

About (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one

(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one (PubChem CID 95581131) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one.

Molecular Properties

Compound Name(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one
PubChem CID95581131
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one
SMILESCC(C)c1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)cs1
InChIInChI=1S/C18H23N3OS/c1-13(2)18-20-15(12-23-18)11-21-9-8-19-17(22)10-16(21)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,19,22)/t16-/m0/s1
InChIKeyVIZPVJRCEIYTQU-INIZCTEOSA-N
XLogP3.33
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one with MolForge

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Related Compounds

7-phenyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]-1,4-diazepan-5-one
CID 71880430
(7S)-1-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 95054928
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 47069601
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 56819980
1-[(2-chloro-3-hydroxyphenyl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 167925140
1-[(2-amino-1,3-thiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one;hydrochloride
CID 120898937
(7R)-1-[(4-aminoquinazolin-2-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 124615429
1-but-2-ynyl-7-phenyl-1,4-diazepan-5-one
CID 122137393
7-phenyl-1-[(3-phenyltriazol-4-yl)methyl]-1,4-diazepan-5-one
CID 139002085
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 56818425
(7S)-1-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-7-phenyl-1,4-diazepan-5-one
CID 94498475

Frequently Asked Questions

What is the IUPAC name of (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one?
The IUPAC name of (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one (CID 95581131) is (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one.
What is the SMILES notation for (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one?
The canonical SMILES for (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one is CC(C)c1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)cs1.
What is the InChIKey of (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one?
The InChIKey is VIZPVJRCEIYTQU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-13(2)18-20-15(12-23-18)11-21-9-8-19-17(22)10-16(21)14-6-4-3-5-7-14/h3-7,12-13,16H,8-11H2,1-2H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one?
(7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one has a molecular weight of 329.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-phenyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-5-one is sourced from PubChem (CID 95581131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).