2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol

C17H22N2OS — CID 109398002

IUPAC2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ncc(-c2ccccc2)s1)CC1CCCC1O
InChIInChI=1S/C17H22N2OS/c1-19(11-14-8-5-9-15(14)20)12-17-18-10-16(21-17)13-6-3-2-4-7-13/h2-4,6-7,10,14-15,20H,5,8-9,11-12H2,1H3
InChIKeyDJBNFZPVNBEVNC-UHFFFAOYSA-N
MW302.44 g/mol
LogP3.40
Rot. Bonds5

About 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol

2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol (PubChem CID 109398002) has the molecular formula C17H22N2OS and a molecular weight of 302.44 g/mol. Its IUPAC name is 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol
PubChem CID109398002
Molecular FormulaC17H22N2OS
Molecular Weight302.44 g/mol
Exact Mass302.15
IUPAC Name2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol
SMILESCN(Cc1ncc(-c2ccccc2)s1)CC1CCCC1O
InChIInChI=1S/C17H22N2OS/c1-19(11-14-8-5-9-15(14)20)12-17-18-10-16(21-17)13-6-3-2-4-7-13/h2-4,6-7,10,14-15,20H,5,8-9,11-12H2,1H3
InChIKeyDJBNFZPVNBEVNC-UHFFFAOYSA-N
XLogP3.40
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
cis-(1S,2R)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 124515968
cis-(1R,2S)-2-[[(2,6-difluorophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 125136229
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110003773
2-(chloromethyl)-5-phenyl-1,3-thiazole
CID 46785018
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)propanamide
CID 109399686
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 55094675
2-[[(2-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-ol
CID 55094820
4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 120909531
2-[[(2-tert-butyl-1,3-thiazol-4-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 109397882
1-cyclohexyl-N-[(5-phenyl-1,3-thiazol-2-yl)methyl]methanamine
CID 53271572
2-[3-[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]phenyl]acetic acid
CID 154876284

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol (CID 109398002) is 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol is CN(Cc1ncc(-c2ccccc2)s1)CC1CCCC1O.
What is the InChIKey of 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol?
The InChIKey is DJBNFZPVNBEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2OS/c1-19(11-14-8-5-9-15(14)20)12-17-18-10-16(21-17)13-6-3-2-4-7-13/h2-4,6-7,10,14-15,20H,5,8-9,11-12H2,1H3.
What are the key properties of 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol?
2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol has a molecular weight of 302.44 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[(5-phenyl-1,3-thiazol-2-yl)methyl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 109398002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).