5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide

C8H15BrN2S — CID 17389266

IUPAC5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
SMILESBr.CC1CN=C(N2CCCC2)S1
InChIInChI=1S/C8H14N2S.BrH/c1-7-6-9-8(11-7)10-4-2-3-5-10;/h7H,2-6H2,1H3;1H
InChIKeyYBTXBHPEMXILKJ-UHFFFAOYSA-N
MW251.19 g/mol
LogP2.15
Rot. Bonds

About 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide

5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide (PubChem CID 17389266) has the molecular formula C8H15BrN2S and a molecular weight of 251.19 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
PubChem CID17389266
Molecular FormulaC8H15BrN2S
Molecular Weight251.19 g/mol
Exact Mass250.01
IUPAC Name5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide
SMILESBr.CC1CN=C(N2CCCC2)S1
InChIInChI=1S/C8H14N2S.BrH/c1-7-6-9-8(11-7)10-4-2-3-5-10;/h7H,2-6H2,1H3;1H
InChIKeyYBTXBHPEMXILKJ-UHFFFAOYSA-N
XLogP2.15
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.19
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Ethylsulfanyl-5-pyrrolidin-1-yl-1,2,4-dithiazol-2-ium
CID 498300
2-Methylimino-3,5-dimethylthiazolidine
CID 12718849
Pyrrolidino-2,4-dimethyl-1,3,5-dithiazin
CID 129890637
5-Methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
CID 17365713
2-(Pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 12320961
methyl N-methylpyrrolidine-1-carboximidothioate
CID 12377315
2,3,5,6,7,8-Hexahydro-[1,3]thiazolo[3,2-a][1,3]diazepine
CID 12826604
1-(4,5-Dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
CID 141914299
N-butyl-3-propan-2-yl-1,3-thiazolidin-2-imine
CID 145121141
(3S)-1-(4,5-dihydro-1,3-thiazol-2-yl)pyrrolidine-3-thiol
CID 150983894
propyl N-ethylpyrrolidine-1-carboximidothioate
CID 3514430
5-Methyl-2-(pyrrolidin-1-yl)-4,5-dihydro-1,3-thiazole
CID 3571632

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide?
The IUPAC name of 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide (CID 17389266) is 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide.
What is the SMILES notation for 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide?
The canonical SMILES for 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide is Br.CC1CN=C(N2CCCC2)S1.
What is the InChIKey of 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide?
The InChIKey is YBTXBHPEMXILKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S.BrH/c1-7-6-9-8(11-7)10-4-2-3-5-10;/h7H,2-6H2,1H3;1H.
What are the key properties of 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide?
5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide has a molecular weight of 251.19 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-1-yl-4,5-dihydro-1,3-thiazole;hydrobromide is sourced from PubChem (CID 17389266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).