4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C15H17BrN2S — CID 116829049

IUPAC4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1-c1ccccc1Br
InChIInChI=1S/C15H17BrN2S/c1-10-15(12-6-2-3-7-13(12)16)18-14(19-10)9-11-5-4-8-17-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3
InChIKeyFZWJWLDDOPTDPL-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.18
Rot. Bonds3

About 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 116829049) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID116829049
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1-c1ccccc1Br
InChIInChI=1S/C15H17BrN2S/c1-10-15(12-6-2-3-7-13(12)16)18-14(19-10)9-11-5-4-8-17-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3
InChIKeyFZWJWLDDOPTDPL-UHFFFAOYSA-N
XLogP4.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62632691
5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829043
4-(2-bromophenyl)-2-(cyclopentylsulfanylmethyl)-5-methyl-1,3-thiazole
CID 79839949
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540204
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
4-bromo-2-(piperidin-2-ylmethyl)-1,3-benzothiazole
CID 84645389
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 83694099
4-(2-bromophenyl)-2-(3-ethylcyclohexyl)-5-methyl-1,3-thiazole
CID 79834211
4-(2-bromophenyl)-5-methyl-2-(4-methylcyclohexyl)-1,3-thiazole
CID 79839844
4-(2-bromophenyl)-5-methyl-2-(thian-2-yl)-1,3-thiazole
CID 80639079

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 116829049) is 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1sc(CC2CCCN2)nc1-c1ccccc1Br.
What is the InChIKey of 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is FZWJWLDDOPTDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-10-15(12-6-2-3-7-13(12)16)18-14(19-10)9-11-5-4-8-17-11/h2-3,6-7,11,17H,4-5,8-9H2,1H3.
What are the key properties of 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 337.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 116829049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).