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

C12H15N3S — CID 136988563

IUPAC4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1nc(-c2ccc[nH]2)sc1C1CCNC1
InChIInChI=1S/C12H15N3S/c1-8-11(9-4-6-13-7-9)16-12(15-8)10-3-2-5-14-10/h2-3,5,9,13-14H,4,6-7H2,1H3
InChIKeyIKQAKHOWRJUMRA-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.52
Rot. Bonds2

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

4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole (PubChem CID 136988563) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
PubChem CID136988563
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole
SMILESCc1nc(-c2ccc[nH]2)sc1C1CCNC1
InChIInChI=1S/C12H15N3S/c1-8-11(9-4-6-13-7-9)16-12(15-8)10-3-2-5-14-10/h2-3,5,9,13-14H,4,6-7H2,1H3
InChIKeyIKQAKHOWRJUMRA-UHFFFAOYSA-N
XLogP2.52
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885078
2-(3-bromophenyl)-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885080
2-pyrrolidin-3-yl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116898827
2-cyclopentyl-4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 116885085
5-methyl-2-(pyrrolidin-3-ylmethyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 116829024
5-(azetidin-3-yl)-4-methyl-2-pyridin-3-yl-1,3-thiazole
CID 116885014
4-methyl-2-piperidin-4-yl-6-(1H-pyrrol-2-yl)pyrimidine
CID 116893449
2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988524
4-methyl-5-pyrrolidin-3-yl-1,3-thiazole
CID 82413076
[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 136988709
2-amino-2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanol
CID 136988683
4-methyl-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 79146802

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The IUPAC name of 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole (CID 136988563) is 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The canonical SMILES for 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole is Cc1nc(-c2ccc[nH]2)sc1C1CCNC1.
What is the InChIKey of 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
The InChIKey is IKQAKHOWRJUMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-8-11(9-4-6-13-7-9)16-12(15-8)10-3-2-5-14-10/h2-3,5,9,13-14H,4,6-7H2,1H3.
What are the key properties of 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole?
4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole has a molecular weight of 233.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyrrolidin-3-yl-2-(1H-pyrrol-2-yl)-1,3-thiazole is sourced from PubChem (CID 136988563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).