N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide

C20H19N3O2S — CID 23964431

IUPACN'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1nccs1
InChIInChI=1S/C20H19N3O2S/c24-17(11-12-18(25)23-20-21-13-14-26-20)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,19H,11-12H2,(H,22,24)(H,21,23,25)
InChIKeyBBPHBIWDVZUMCR-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.77
Rot. Bonds7

About N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide

N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide (PubChem CID 23964431) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide.

Molecular Properties

Compound NameN'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
PubChem CID23964431
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC NameN'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide
SMILESO=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1nccs1
InChIInChI=1S/C20H19N3O2S/c24-17(11-12-18(25)23-20-21-13-14-26-20)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,19H,11-12H2,(H,22,24)(H,21,23,25)
InChIKeyBBPHBIWDVZUMCR-UHFFFAOYSA-N
XLogP3.77
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[naphthalen-1-yl(phenyl)methyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 86936286
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
2-phenyl-2-pyrrol-1-yl-N-(1,3-thiazol-2-yl)acetamide
CID 52992847
3-benzylsulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 6498108
3-(furan-2-yl)-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 4221665
(2S)-2-phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 97038201
2-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 2888884
4-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 719768
N-[4-(2-bromophenyl)sulfanylbutyl]-N'-(1,3-thiazol-2-yl)butanediamide
CID 86958636
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4904052
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935

Frequently Asked Questions

What is the IUPAC name of N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide?
The IUPAC name of N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide (CID 23964431) is N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide.
What is the SMILES notation for N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide?
The canonical SMILES for N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide is O=C(CCC(=O)NC(c1ccccc1)c1ccccc1)Nc1nccs1.
What is the InChIKey of N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide?
The InChIKey is BBPHBIWDVZUMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-17(11-12-18(25)23-20-21-13-14-26-20)22-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13-14,19H,11-12H2,(H,22,24)(H,21,23,25).
What are the key properties of N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide?
N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide has a molecular weight of 365.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzhydryl-N-(1,3-thiazol-2-yl)butanediamide is sourced from PubChem (CID 23964431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).