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

C14H17N3S — CID 116829043

IUPAC5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1-c1cccnc1
InChIInChI=1S/C14H17N3S/c1-10-14(11-4-2-6-15-9-11)17-13(18-10)8-12-5-3-7-16-12/h2,4,6,9,12,16H,3,5,7-8H2,1H3
InChIKeySMZRXGZQAZJQTO-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.81
Rot. Bonds3

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

5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 116829043) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID116829043
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1-c1cccnc1
InChIInChI=1S/C14H17N3S/c1-10-14(11-4-2-6-15-9-11)17-13(18-10)8-12-5-3-7-16-12/h2,4,6,9,12,16H,3,5,7-8H2,1H3
InChIKeySMZRXGZQAZJQTO-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 5-methyl-4-pyridin-3-yl-2-(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-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829049
4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62632691
(5-methyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106363
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540204
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
(5-cyclopentyl-4-pyridin-3-yl-1,3-thiazol-2-yl)methanamine
CID 82106833
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
4-methyl-2-pyridin-4-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885170
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 116829043) is 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1sc(CC2CCCN2)nc1-c1cccnc1.
What is the InChIKey of 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is SMZRXGZQAZJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-10-14(11-4-2-6-15-9-11)17-13(18-10)8-12-5-3-7-16-12/h2,4,6,9,12,16H,3,5,7-8H2,1H3.
What are the key properties of 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
5-methyl-4-pyridin-3-yl-2-(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 5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116829043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).