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

C9H14N2S — CID 105440268

IUPAC5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCc1scnc1CC1CCNC1
InChIInChI=1S/C9H14N2S/c1-7-9(11-6-12-7)4-8-2-3-10-5-8/h6,8,10H,2-5H2,1H3
InChIKeyYUVXDWLTEQNYQC-UHFFFAOYSA-N
MW182.29 g/mol
LogP1.60
Rot. Bonds2

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

5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (PubChem CID 105440268) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
PubChem CID105440268
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
SMILESCc1scnc1CC1CCNC1
InChIInChI=1S/C9H14N2S/c1-7-9(11-6-12-7)4-8-2-3-10-5-8/h6,8,10H,2-5H2,1H3
InChIKeyYUVXDWLTEQNYQC-UHFFFAOYSA-N
XLogP1.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-4-(pyrrolidin-3-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

5-fluoro-3-methyl-2-(pyrrolidin-3-ylmethyl)pyridine
CID 135135528
2-methyl-5-[[(3S)-pyrrolidin-3-yl]methyl]pyrazine
CID 157065422
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 95364029
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
2,3-dimethyl-5-(pyrrolidin-3-ylmethyl)pyrazine
CID 135135159
3-methoxy-2-[[(3R)-pyrrolidin-3-yl]methyl]pyridine
CID 153376724
2-ethyl-5-methyl-4-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 105447590
2,5-dimethyl-6-(pyrrolidin-3-ylmethyl)-1,2-dihydropyrazine
CID 135135279
1,7-dimethyl-3-(pyrrolidin-3-ylmethyl)indazole
CID 84692879
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
1-cyclopropyl-5-methyl-2-(pyrrolidin-3-ylmethyl)imidazole
CID 90488069
5-methyl-4-(pyrrolidin-3-ylmethyl)-2-(trifluoromethyl)-1H-imidazole
CID 105492306

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The IUPAC name of 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole (CID 105440268) is 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The canonical SMILES for 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is Cc1scnc1CC1CCNC1.
What is the InChIKey of 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
The InChIKey is YUVXDWLTEQNYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7-9(11-6-12-7)4-8-2-3-10-5-8/h6,8,10H,2-5H2,1H3.
What are the key properties of 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole?
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole has a molecular weight of 182.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 105440268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).