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

C14H15ClN2S — CID 62542301

IUPAC4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1sc(C2CCCN2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2S/c1-9-13(10-4-6-11(15)7-5-10)17-14(18-9)12-3-2-8-16-12/h4-7,12,16H,2-3,8H2,1H3
InChIKeyFJZDYKHSYYPRDX-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.20
Rot. Bonds2

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

4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole (PubChem CID 62542301) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
PubChem CID62542301
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
SMILESCc1sc(C2CCCN2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C14H15ClN2S/c1-9-13(10-4-6-11(15)7-5-10)17-14(18-9)12-3-2-8-16-12/h4-7,12,16H,2-3,8H2,1H3
InChIKeyFJZDYKHSYYPRDX-UHFFFAOYSA-N
XLogP4.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-(4-methylphenyl)-2-piperidin-2-yl-1,3-thiazole
CID 55084812
4-(2,5-difluorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole
CID 102554205
2-(4-chlorophenyl)pyrrolidine;ethane
CID 177172941
(2S)-2-(4-chlorophenyl)pyrrolidine
CID 7009380
6-chloro-2-piperidin-2-yl-1,3-benzothiazole
CID 79528887
2-(azepan-2-yl)-5-chloro-1,3-benzothiazole
CID 64560708
2-pyrrolidin-2-yl-4,5-dihydrobenzo[e][1,3]benzothiazole
CID 62541233
4-(4-bromophenyl)-5-methyl-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558190
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-ethyl-5-methyl-4-pyrrolidin-2-yl-1,3-thiazole
CID 115020841
2-(4-chlorophenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308659

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole (CID 62542301) is 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole is Cc1sc(C2CCCN2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
The InChIKey is FJZDYKHSYYPRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-9-13(10-4-6-11(15)7-5-10)17-14(18-9)12-3-2-8-16-12/h4-7,12,16H,2-3,8H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole?
4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole has a molecular weight of 278.81 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-methyl-2-pyrrolidin-2-yl-1,3-thiazole is sourced from PubChem (CID 62542301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).