2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine

C17H22N2S — CID 79832136

IUPAC2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2S/c1-17(2)10-6-9-15(17)18-11-16-19-14(12-20-16)13-7-4-3-5-8-13/h3-5,7-8,12,15,18H,6,9-11H2,1-2H3
InChIKeyGDJXBPFTPRQFLQ-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.48
Rot. Bonds4

About 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine

2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine (PubChem CID 79832136) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
PubChem CID79832136
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCc1nc(-c2ccccc2)cs1
InChIInChI=1S/C17H22N2S/c1-17(2)10-6-9-15(17)18-11-16-19-14(12-20-16)13-7-4-3-5-8-13/h3-5,7-8,12,15,18H,6,9-11H2,1-2H3
InChIKeyGDJXBPFTPRQFLQ-UHFFFAOYSA-N
XLogP4.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetramethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopropan-1-amine
CID 79359346
2,2-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79836256
2-cyclopropyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 103700231
1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 62900910
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 62901090
[2-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 103684804
3-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclobutan-1-amine
CID 104587891
2-cyclopentyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 62900718
1-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 63934325
4,4-dimethyl-1-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 79827658
[1-[(4-phenyl-1,3-thiazol-2-yl)methylamino]cyclohexyl]methanol
CID 62900743
1,1-dioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]thiolan-3-amine
CID 62900326

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine (CID 79832136) is 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine is CC1(C)CCCC1NCc1nc(-c2ccccc2)cs1.
What is the InChIKey of 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
The InChIKey is GDJXBPFTPRQFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-17(2)10-6-9-15(17)18-11-16-19-14(12-20-16)13-7-4-3-5-8-13/h3-5,7-8,12,15,18H,6,9-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine?
2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine has a molecular weight of 286.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 79832136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).