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

C13H17N3S — CID 116829024

IUPAC5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1sc(CC2CCNC2)nc1-c1ccc[nH]1
InChIInChI=1S/C13H17N3S/c1-9-13(11-3-2-5-15-11)16-12(17-9)7-10-4-6-14-8-10/h2-3,5,10,14-15H,4,6-8H2,1H3
InChIKeyXACHFWAZJCVLDH-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.60
Rot. Bonds3

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

5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 116829024) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID116829024
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1sc(CC2CCNC2)nc1-c1ccc[nH]1
InChIInChI=1S/C13H17N3S/c1-9-13(11-3-2-5-15-11)16-12(17-9)7-10-4-6-14-8-10/h2-3,5,10,14-15H,4,6-8H2,1H3
InChIKeyXACHFWAZJCVLDH-UHFFFAOYSA-N
XLogP2.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclobutyl-5-methyl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116829036
4-fluoro-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84628386
5,6-dimethyl-2-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84632613
2-(azetidin-3-ylmethyl)-5-methyl-4-pyrrolidin-3-yl-1,3-thiazole
CID 115042271
4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
CID 136988563
4,7-dimethyl-2-(piperidin-3-ylmethyl)-1,3-benzothiazole
CID 84638390
4-tert-butyl-5-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 116829012
2-ethyl-4-methyl-5-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 116885178
2,6-dimethyl-4-(pyrrolidin-3-ylmethyl)pyridine
CID 135135099
5-methyl-4-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105440268
4-propan-2-yl-2-(pyrrolidin-3-ylmethyl)-1,3-thiazole
CID 105464499
2-methyl-6-(pyrrolidin-3-ylmethyl)-1,3-benzothiazole
CID 84795648

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole (CID 116829024) is 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole is Cc1sc(CC2CCNC2)nc1-c1ccc[nH]1.
What is the InChIKey of 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is XACHFWAZJCVLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-9-13(11-3-2-5-15-11)16-12(17-9)7-10-4-6-14-8-10/h2-3,5,10,14-15H,4,6-8H2,1H3.
What are the key properties of 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole?
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 247.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 116829024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).