1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol

C16H20N2OS — CID 63934325

IUPAC1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nc(-c3ccccc3)cs2)CCCC1
InChIInChI=1S/C16H20N2OS/c19-16(8-4-5-9-16)12-17-10-15-18-14(11-20-15)13-6-2-1-3-7-13/h1-3,6-7,11,17,19H,4-5,8-10,12H2
InChIKeyGMSMMHOXALSDMW-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.20
Rot. Bonds5

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

1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 63934325) 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)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
PubChem CID63934325
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1(CNCc2nc(-c3ccccc3)cs2)CCCC1
InChIInChI=1S/C16H20N2OS/c19-16(8-4-5-9-16)12-17-10-15-18-14(11-20-15)13-6-2-1-3-7-13/h1-3,6-7,11,17,19H,4-5,8-10,12H2
InChIKeyGMSMMHOXALSDMW-UHFFFAOYSA-N
XLogP3.20
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 133447637
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
N-[[4-(4-phenylphenyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62543018
1-(1-hydroxycyclohexyl)-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 103449748
3-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-ol
CID 79820158
2-methyl-1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]propan-2-ol
CID 63932074
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
1-[1-(aminomethyl)cyclopentyl]-2-(4-phenyl-1,3-thiazol-2-yl)ethanone
CID 116601053
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600570
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-piperidin-1-ylethanamine
CID 62900558

Frequently Asked Questions

What is the IUPAC name of 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol (CID 63934325) is 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol is OC1(CNCc2nc(-c3ccccc3)cs2)CCCC1.
What is the InChIKey of 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is GMSMMHOXALSDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c19-16(8-4-5-9-16)12-17-10-15-18-14(11-20-15)13-6-2-1-3-7-13/h1-3,6-7,11,17,19H,4-5,8-10,12H2.
What are the key properties of 1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol?
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 288.42 g/mol, XLogP of 3.20, 5 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)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 63934325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).