[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol

C14H22N2OS — CID 82437638

IUPAC[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
SMILESCC1CCCN(Cc2nc(C3CC3)c(CO)s2)C1
InChIInChI=1S/C14H22N2OS/c1-10-3-2-6-16(7-10)8-13-15-14(11-4-5-11)12(9-17)18-13/h10-11,17H,2-9H2,1H3
InChIKeyAVZFOIBOHJEGBJ-UHFFFAOYSA-N
MW266.41 g/mol
LogP2.74
Rot. Bonds4

About [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol

[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol (PubChem CID 82437638) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol.

Molecular Properties

Compound Name[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
PubChem CID82437638
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
SMILESCC1CCCN(Cc2nc(C3CC3)c(CO)s2)C1
InChIInChI=1S/C14H22N2OS/c1-10-3-2-6-16(7-10)8-13-15-14(11-4-5-11)12(9-17)18-13/h10-11,17H,2-9H2,1H3
InChIKeyAVZFOIBOHJEGBJ-UHFFFAOYSA-N
XLogP2.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437647
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
[4-cyclopropyl-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-yl]methanol
CID 82437678
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437923
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
N-[[2-[(3-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82435281
2-methyl-N-[[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82427485
[4-(methoxymethyl)-2-[2-(3-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]methanol
CID 82441677
2-[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82430536

Frequently Asked Questions

What is the IUPAC name of [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
The IUPAC name of [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol (CID 82437638) is [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol.
What is the SMILES notation for [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
The canonical SMILES for [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol is CC1CCCN(Cc2nc(C3CC3)c(CO)s2)C1.
What is the InChIKey of [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
The InChIKey is AVZFOIBOHJEGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-10-3-2-6-16(7-10)8-13-15-14(11-4-5-11)12(9-17)18-13/h10-11,17H,2-9H2,1H3.
What are the key properties of [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol?
[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol has a molecular weight of 266.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol is sourced from PubChem (CID 82437638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).