4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C14H17N3S — CID 116885170

IUPAC4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1nc(-c2ccncc2)sc1CC1CCCN1
InChIInChI=1S/C14H17N3S/c1-10-13(9-12-3-2-6-16-12)18-14(17-10)11-4-7-15-8-5-11/h4-5,7-8,12,16H,2-3,6,9H2,1H3
InChIKeyMWSQHBHZJHMUCH-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.81
Rot. Bonds3

About 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole

4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 116885170) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID116885170
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1nc(-c2ccncc2)sc1CC1CCCN1
InChIInChI=1S/C14H17N3S/c1-10-13(9-12-3-2-6-16-12)18-14(17-10)11-4-7-15-8-5-11/h4-5,7-8,12,16H,2-3,6,9H2,1H3
InChIKeyMWSQHBHZJHMUCH-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-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-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885169
4-methyl-5-(piperidin-2-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988576
4-methyl-5-(2-methylpropyl)-2-pyridin-4-yl-1,3-thiazole
CID 70910859
4-methyl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 130167048
4-methyl-5-(piperidin-4-ylmethyl)-2-(1H-pyrrol-3-yl)-1,3-thiazole
CID 136988580
5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829043
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119779789
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-[(3-methyl-1-benzothiophen-2-yl)methyl]pyrrolidine
CID 116987263
4-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82596500
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
3-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)cyclobutan-1-amine
CID 116885333

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 116885170) is 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1nc(-c2ccncc2)sc1CC1CCCN1.
What is the InChIKey of 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is MWSQHBHZJHMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-13(9-12-3-2-6-16-12)18-14(17-10)11-4-7-15-8-5-11/h4-5,7-8,12,16H,2-3,6,9H2,1H3.
What are the key properties of 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 259.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116885170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).