[1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol

C14H24N2OS — CID 55177162

IUPAC[1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
SMILESCC(C)(C)c1ncc(CNC2(CO)CCCC2)s1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)12-15-8-11(18-12)9-16-14(10-17)6-4-5-7-14/h8,16-17H,4-7,9-10H2,1-3H3
InChIKeyZJPTXVFBKSBCBS-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.84
Rot. Bonds4

About [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol

[1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol (PubChem CID 55177162) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
PubChem CID55177162
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol
SMILESCC(C)(C)c1ncc(CNC2(CO)CCCC2)s1
InChIInChI=1S/C14H24N2OS/c1-13(2,3)12-15-8-11(18-12)9-16-14(10-17)6-4-5-7-14/h8,16-17H,4-7,9-10H2,1-3H3
InChIKeyZJPTXVFBKSBCBS-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol?
The IUPAC name of [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol (CID 55177162) is [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol.
What is the SMILES notation for [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol?
The canonical SMILES for [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol is CC(C)(C)c1ncc(CNC2(CO)CCCC2)s1.
What is the InChIKey of [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol?
The InChIKey is ZJPTXVFBKSBCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2,3)12-15-8-11(18-12)9-16-14(10-17)6-4-5-7-14/h8,16-17H,4-7,9-10H2,1-3H3.
What are the key properties of [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol?
[1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol has a molecular weight of 268.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]cyclopentyl]methanol is sourced from PubChem (CID 55177162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).