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

C14H24N2OS — CID 55117666

IUPAC[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(c1nc(C(C)(C)C)c(CO)s1)C1CCCC1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)12-11(9-17)18-13(15-12)16(4)10-7-5-6-8-10/h10,17H,5-9H2,1-4H3
InChIKeyWEKODTYXXVGTQA-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.31
Rot. Bonds3

About [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol

[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol (PubChem CID 55117666) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
PubChem CID55117666
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol
SMILESCN(c1nc(C(C)(C)C)c(CO)s1)C1CCCC1
InChIInChI=1S/C14H24N2OS/c1-14(2,3)12-11(9-17)18-13(15-12)16(4)10-7-5-6-8-10/h10,17H,5-9H2,1-4H3
InChIKeyWEKODTYXXVGTQA-UHFFFAOYSA-N
XLogP3.31
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol (CID 55117666) is [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol is CN(c1nc(C(C)(C)C)c(CO)s1)C1CCCC1.
What is the InChIKey of [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
The InChIKey is WEKODTYXXVGTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-14(2,3)12-11(9-17)18-13(15-12)16(4)10-7-5-6-8-10/h10,17H,5-9H2,1-4H3.
What are the key properties of [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol?
[4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol has a molecular weight of 268.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[cyclopentyl(methyl)amino]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 55117666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).