2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol

C15H18N2OS — CID 112633777

IUPAC2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2)12(9-13(15)18)17-11-5-3-10(4-6-11)14-16-7-8-19-14/h3-8,12-13,17-18H,9H2,1-2H3
InChIKeyJCTQELQINMLDEG-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.38
Rot. Bonds3

About 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol

2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol (PubChem CID 112633777) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
PubChem CID112633777
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol
SMILESCC1(C)C(O)CC1Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C15H18N2OS/c1-15(2)12(9-13(15)18)17-11-5-3-10(4-6-11)14-16-7-8-19-14/h3-8,12-13,17-18H,9H2,1-2H3
InChIKeyJCTQELQINMLDEG-UHFFFAOYSA-N
XLogP3.38
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Hydroxy-3-methylbutyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 56795046
Ethyl 3-((4-(thiazol-2-yl)phenyl)amino)propanoate
CID 166594186
N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
CID 102869116
2-(3-Fluoro-5-methylanilino)-2-(1,3-thiazol-2-yl)ethanol
CID 104078172
1-[4-Fluoro-2-[1-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]phenyl]piperidin-4-ol
CID 109951626
1-[2-Fluoro-4-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]phenyl]piperidin-4-ol
CID 110905903
4-(1,3-thiazol-2-yl)-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534565
4-methyl-N-[1-(1,3-thiazol-2-yl)pentan-2-yl]aniline
CID 10923285
N-ethyl-3-(1,3-thiazol-2-yl)aniline
CID 21891533
1-Amino-4-(2-hydroxyethyl)amino-2-(thiazol-2-yl)benzene
CID 22506053
N-[4-(1,3-thiazol-2-yl)phenyl]acetamide
CID 33763284
(2S)-2-[4-(1,3-thiazol-2-yl)anilino]propanoic acid
CID 53985211

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol (CID 112633777) is 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol is CC1(C)C(O)CC1Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol?
The InChIKey is JCTQELQINMLDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-15(2)12(9-13(15)18)17-11-5-3-10(4-6-11)14-16-7-8-19-14/h3-8,12-13,17-18H,9H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol?
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol has a molecular weight of 274.39 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)anilino]cyclobutan-1-ol is sourced from PubChem (CID 112633777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).