2-bromo-4-pyrrolidin-3-yl-1,3-thiazole

C7H9BrN2S — CID 115039273

IUPAC2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
SMILESBrc1nc(C2CCNC2)cs1
InChIInChI=1S/C7H9BrN2S/c8-7-10-6(4-11-7)5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeyOMVNCXKBPHPBJP-UHFFFAOYSA-N
MW233.13 g/mol
LogP1.98
Rot. Bonds1

About 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole

2-bromo-4-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 115039273) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
PubChem CID115039273
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
SMILESBrc1nc(C2CCNC2)cs1
InChIInChI=1S/C7H9BrN2S/c8-7-10-6(4-11-7)5-1-2-9-3-5/h4-5,9H,1-3H2
InChIKeyOMVNCXKBPHPBJP-UHFFFAOYSA-N
XLogP1.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
1-(4-pyrrolidin-3-yl-1,3-thiazol-2-yl)cyclopropan-1-amine
CID 105463518
2-(azetidin-3-ylmethyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 115034159
2-(5-bromo-2-fluorophenyl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888662
2-(1-methylpyrrolidin-3-yl)-4-pyrrolidin-3-yl-1,3-thiazole
CID 116888678
4-pyrrolidin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 115042290
2-(2-bromophenyl)-4-piperidin-3-yl-1,3-thiazole
CID 116888718
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
2-bromo-4-(thiolan-3-yl)-1,3-thiazole
CID 115046672
2-bromo-4-(oxolan-3-yl)-1,3-thiazole
CID 104756423
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole (CID 115039273) is 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole is Brc1nc(C2CCNC2)cs1.
What is the InChIKey of 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is OMVNCXKBPHPBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c8-7-10-6(4-11-7)5-1-2-9-3-5/h4-5,9H,1-3H2.
What are the key properties of 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole?
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 233.13 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 115039273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).