1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

C16H20N2OS — CID 133447637

IUPAC1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(-c3ccccc3)cs2)CCCCC1
InChIInChI=1S/C16H20N2OS/c19-16(9-5-2-6-10-16)12-17-15-18-14(11-20-15)13-7-3-1-4-8-13/h1,3-4,7-8,11,19H,2,5-6,9-10,12H2,(H,17,18)
InChIKeyDACURGWEJCGDGR-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.92
Rot. Bonds4

About 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol

1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 133447637) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID133447637
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2nc(-c3ccccc3)cs2)CCCCC1
InChIInChI=1S/C16H20N2OS/c19-16(9-5-2-6-10-16)12-17-15-18-14(11-20-15)13-7-3-1-4-8-13/h1,3-4,7-8,11,19H,2,5-6,9-10,12H2,(H,17,18)
InChIKeyDACURGWEJCGDGR-UHFFFAOYSA-N
XLogP3.92
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethanol
CID 15573942
N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133399967
N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133405929
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 103449748
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
2-methyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-1-ol
CID 141197141
N-ethyl-2-[(4-phenyl-1,3-thiazol-2-yl)amino]acetamide
CID 86802898
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293
1-(4-phenyl-1,3-thiazol-2-yl)cyclohexan-1-amine
CID 61338251
1-[[(3-amino-4-phenyl-1,2-thiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 103378857

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol (CID 133447637) is 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is OC1(CNc2nc(-c3ccccc3)cs2)CCCCC1.
What is the InChIKey of 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is DACURGWEJCGDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(9-5-2-6-10-16)12-17-15-18-14(11-20-15)13-7-3-1-4-8-13/h1,3-4,7-8,11,19H,2,5-6,9-10,12H2,(H,17,18).
What are the key properties of 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol?
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 288.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 133447637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).