4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

C14H19N3S — CID 136988576

IUPAC4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2cc[nH]c2)sc1CC1CCCCN1
InChIInChI=1S/C14H19N3S/c1-10-13(8-12-4-2-3-6-16-12)18-14(17-10)11-5-7-15-9-11/h5,7,9,12,15-16H,2-4,6,8H2,1H3
InChIKeyLZISMYVYBILIBO-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.13
Rot. Bonds3

About 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole

4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (PubChem CID 136988576) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
PubChem CID136988576
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
SMILESCc1nc(-c2cc[nH]c2)sc1CC1CCCCN1
InChIInChI=1S/C14H19N3S/c1-10-13(8-12-4-2-3-6-16-12)18-14(17-10)11-5-7-15-9-11/h5,7,9,12,15-16H,2-4,6,8H2,1H3
InChIKeyLZISMYVYBILIBO-UHFFFAOYSA-N
XLogP3.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885170
4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885169
[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]methanamine
CID 137013301
2-[4-methyl-2-(1H-pyrrol-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988525
4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 130167048
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
3-methyl-5-(piperidin-2-ylmethyl)-1,2-oxazole
CID 83846520
4,5-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine
CID 83838031
2-[(3-methyl-1-benzothiophen-2-yl)methyl]pyrrolidine
CID 116987263
N-methyl-1-[2-(piperidin-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090979
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole (CID 136988576) is 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is Cc1nc(-c2cc[nH]c2)sc1CC1CCCCN1.
What is the InChIKey of 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
The InChIKey is LZISMYVYBILIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-10-13(8-12-4-2-3-6-16-12)18-14(17-10)11-5-7-15-9-11/h5,7,9,12,15-16H,2-4,6,8H2,1H3.
What are the key properties of 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole?
4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole has a molecular weight of 261.39 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole is sourced from PubChem (CID 136988576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).