2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole

C12H19N3S — CID 116888678

IUPAC2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
SMILESCN1CCC(c2nc(C3CCNC3)cs2)C1
InChIInChI=1S/C12H19N3S/c1-15-5-3-10(7-15)12-14-11(8-16-12)9-2-4-13-6-9/h8-10,13H,2-7H2,1H3
InChIKeyMHXNMJMTJSCOSV-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.64
Rot. Bonds2

About 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole

2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116888678) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116888678
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
SMILESCN1CCC(c2nc(C3CCNC3)cs2)C1
InChIInChI=1S/C12H19N3S/c1-15-5-3-10(7-15)12-14-11(8-16-12)9-2-4-13-6-9/h8-10,13H,2-7H2,1H3
InChIKeyMHXNMJMTJSCOSV-UHFFFAOYSA-N
XLogP1.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-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

2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-(1-methylpiperidin-3-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965401
2-(azetidin-3-yl)-4-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 115042295
3-[4-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-yl]morpholine
CID 116966504
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
4-cyclohexyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558204
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-4-yl]butan-2-amine
CID 116888539
4-(oxan-4-yl)-2-piperidin-4-yl-1,3-thiazole
CID 116965399
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
4-(1,1-difluoroethyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 84786149

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole (CID 116888678) is 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole is CN1CCC(c2nc(C3CCNC3)cs2)C1.
What is the InChIKey of 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is MHXNMJMTJSCOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-15-5-3-10(7-15)12-14-11(8-16-12)9-2-4-13-6-9/h8-10,13H,2-7H2,1H3.
What are the key properties of 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole?
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 237.37 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116888678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).