2-(1-benzhydrylcyclobutyl)-1,3-thiazole

C20H19NS — CID 143671126

IUPAC2-(1-benzhydrylcyclobutyl)-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)C2(c3nccs3)CCC2)cc1
InChIInChI=1S/C20H19NS/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)20(12-7-13-20)19-21-14-15-22-19/h1-6,8-11,14-15,18H,7,12-13H2
InChIKeyRAXGUEWFOXZIOV-UHFFFAOYSA-N
MW305.45 g/mol
LogP5.40
Rot. Bonds4

About 2-(1-benzhydrylcyclobutyl)-1,3-thiazole

2-(1-benzhydrylcyclobutyl)-1,3-thiazole (PubChem CID 143671126) has the molecular formula C20H19NS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(1-benzhydrylcyclobutyl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-benzhydrylcyclobutyl)-1,3-thiazole
PubChem CID143671126
Molecular FormulaC20H19NS
Molecular Weight305.45 g/mol
Exact Mass305.12
IUPAC Name2-(1-benzhydrylcyclobutyl)-1,3-thiazole
SMILESc1ccc(C(c2ccccc2)C2(c3nccs3)CCC2)cc1
InChIInChI=1S/C20H19NS/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)20(12-7-13-20)19-21-14-15-22-19/h1-6,8-11,14-15,18H,7,12-13H2
InChIKeyRAXGUEWFOXZIOV-UHFFFAOYSA-N
XLogP5.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-N-propan-2-yl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 105402369
N-phenyl-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]acetamide
CID 71983374
(R)-phenyl(1,3-thiazol-2-yl)methanol
CID 10511917
N-cyclopropyl-2-phenyl-1-(1,3-thiazol-2-yl)cyclohexan-1-amine
CID 105402382
2-(1-ethoxycycloheptyl)-1,3-thiazole
CID 116782694
1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 82184336
1-(3-chlorophenyl)-2-[[1-(1,3-thiazol-2-yl)cyclopentyl]amino]ethanol
CID 111916295
2-[1-methyl-4-(2-phenylethyl)cyclohexyl]-1,3-thiazole
CID 67915715
1-benzyl-N-methyl-4-(1,3-thiazol-2-yl)piperidin-4-amine
CID 61331116
ethane;phenyl(1,3-thiazol-2-yl)methanol;hydrate
CID 142101108
2-phenyl-2-(1,3-thiazol-2-yl)acetic acid
CID 115006319
2-methyl-3-(1,3-thiazol-2-yl)thian-3-amine
CID 79951862

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzhydrylcyclobutyl)-1,3-thiazole?
The IUPAC name of 2-(1-benzhydrylcyclobutyl)-1,3-thiazole (CID 143671126) is 2-(1-benzhydrylcyclobutyl)-1,3-thiazole.
What is the SMILES notation for 2-(1-benzhydrylcyclobutyl)-1,3-thiazole?
The canonical SMILES for 2-(1-benzhydrylcyclobutyl)-1,3-thiazole is c1ccc(C(c2ccccc2)C2(c3nccs3)CCC2)cc1.
What is the InChIKey of 2-(1-benzhydrylcyclobutyl)-1,3-thiazole?
The InChIKey is RAXGUEWFOXZIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NS/c1-3-8-16(9-4-1)18(17-10-5-2-6-11-17)20(12-7-13-20)19-21-14-15-22-19/h1-6,8-11,14-15,18H,7,12-13H2.
What are the key properties of 2-(1-benzhydrylcyclobutyl)-1,3-thiazole?
2-(1-benzhydrylcyclobutyl)-1,3-thiazole has a molecular weight of 305.45 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzhydrylcyclobutyl)-1,3-thiazole is sourced from PubChem (CID 143671126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).