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

C11H11BrN2S2 — CID 116965371

IUPAC4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESBrc1csc(-c2csc(C3CCNC3)n2)c1
InChIInChI=1S/C11H11BrN2S2/c12-8-3-10(15-5-8)9-6-16-11(14-9)7-1-2-13-4-7/h3,5-7,13H,1-2,4H2
InChIKeyPNIKCQRDFVDNPD-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.71
Rot. Bonds2

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

4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116965371) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116965371
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC Name4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESBrc1csc(-c2csc(C3CCNC3)n2)c1
InChIInChI=1S/C11H11BrN2S2/c12-8-3-10(15-5-8)9-6-16-11(14-9)7-1-2-13-4-7/h3,5-7,13H,1-2,4H2
InChIKeyPNIKCQRDFVDNPD-UHFFFAOYSA-N
XLogP3.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 107354701
3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965509
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965359
4-(4-bromophenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62541961
4-methyl-2-[(3R)-pyrrolidin-3-yl]-1,3-thiazole
CID 93492448
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
2-bromo-4-pyrrolidin-3-yl-1,3-thiazole
CID 115039273
2-(2-pyrrolidin-3-yl-1,3-thiazol-4-yl)ethanamine
CID 115087742
5-(4-bromothiophen-2-yl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 107355298
4-pyrrolidin-3-yl-1,3-thiazol-2-amine;dihydrochloride
CID 171340444
2-piperidin-3-yl-4-(2,4,5-trimethylphenyl)-1,3-thiazole
CID 62795975

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole (CID 116965371) is 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole is Brc1csc(-c2csc(C3CCNC3)n2)c1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is PNIKCQRDFVDNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c12-8-3-10(15-5-8)9-6-16-11(14-9)7-1-2-13-4-7/h3,5-7,13H,1-2,4H2.
What are the key properties of 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole?
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 315.26 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116965371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).