N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide

C23H24N4O2S — CID 75416999

IUPACN-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
SMILESCc1csc(N2CCCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C23H24N4O2S/c1-17-16-30-23(24-17)27-13-7-12-26(14-15-27)22(29)19-10-5-6-11-20(19)25-21(28)18-8-3-2-4-9-18/h2-6,8-11,16H,7,12-15H2,1H3,(H,25,28)
InChIKeyVVIDFFPIMITDPP-UHFFFAOYSA-N
MW420.54 g/mol
LogP4.06
Rot. Bonds4

About N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide

N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide (PubChem CID 75416999) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
PubChem CID75416999
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC NameN-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
SMILESCc1csc(N2CCCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C23H24N4O2S/c1-17-16-30-23(24-17)27-13-7-12-26(14-15-27)22(29)19-10-5-6-11-20(19)25-21(28)18-8-3-2-4-9-18/h2-6,8-11,16H,7,12-15H2,1H3,(H,25,28)
InChIKeyVVIDFFPIMITDPP-UHFFFAOYSA-N
XLogP4.06
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1-trifluoro-N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]methanesulfonamide
CID 86895884
N-[2-(4-benzoylpiperazine-1-carbonyl)phenyl]benzamide
CID 32904614
[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 167790601
furan-3-yl-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47381052
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
N-[2-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-3-carboxamide
CID 55982546
N-[2-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55860616
1-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]-3,3-diphenylpropan-1-one
CID 60573249
4-piperidin-1-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 21367427
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
(2-tert-butyl-1,3-thiazol-5-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 47897487
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide?
The IUPAC name of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide (CID 75416999) is N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide?
The canonical SMILES for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide is Cc1csc(N2CCCN(C(=O)c3ccccc3NC(=O)c3ccccc3)CC2)n1.
What is the InChIKey of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide?
The InChIKey is VVIDFFPIMITDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-17-16-30-23(24-17)27-13-7-12-26(14-15-27)22(29)19-10-5-6-11-20(19)25-21(28)18-8-3-2-4-9-18/h2-6,8-11,16H,7,12-15H2,1H3,(H,25,28).
What are the key properties of N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide?
N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide has a molecular weight of 420.54 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 75416999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).