[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol

C16H21N3OS — CID 110016984

IUPAC[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCC1CCCC(CO)N1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H21N3OS/c1-12-5-4-6-14(10-20)19(12)9-13-11-21-16(18-13)15-7-2-3-8-17-15/h2-3,7-8,11-12,14,20H,4-6,9-10H2,1H3
InChIKeyJPCUHCJTJVUTRO-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.94
Rot. Bonds4

About [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol

[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol (PubChem CID 110016984) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol
PubChem CID110016984
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol
SMILESCC1CCCC(CO)N1Cc1csc(-c2ccccn2)n1
InChIInChI=1S/C16H21N3OS/c1-12-5-4-6-14(10-20)19(12)9-13-11-21-16(18-13)15-7-2-3-8-17-15/h2-3,7-8,11-12,14,20H,4-6,9-10H2,1H3
InChIKeyJPCUHCJTJVUTRO-UHFFFAOYSA-N
XLogP2.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol with MolForge

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Related Compounds

2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]ethanol
CID 62020101
2-[1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 115648086
[6-methyl-1-(1,3-thiazol-2-ylmethyl)piperidin-2-yl]methanol
CID 110016925
2-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 79370396
2-[4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 60711339
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119632087
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 43234356
4-(piperazin-1-ylmethyl)-2-pyridin-2-yl-1,3-thiazole;dihydrochloride
CID 82018947
2-methyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]cyclopropan-1-amine
CID 62396715
methyl (2R)-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxylate
CID 71861442
4-benzyl-2-pyridin-2-yl-1,3-thiazole
CID 18182490
1-cyclobutyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 115768471

Frequently Asked Questions

What is the IUPAC name of [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol (CID 110016984) is [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol is CC1CCCC(CO)N1Cc1csc(-c2ccccn2)n1.
What is the InChIKey of [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is JPCUHCJTJVUTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-5-4-6-14(10-20)19(12)9-13-11-21-16(18-13)15-7-2-3-8-17-15/h2-3,7-8,11-12,14,20H,4-6,9-10H2,1H3.
What are the key properties of [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol?
[6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 303.43 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-1-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 110016984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).