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

C14H16N2S — CID 116965359

IUPAC4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1ccc(-c2csc(C3CCNC3)n2)cc1
InChIInChI=1S/C14H16N2S/c1-10-2-4-11(5-3-10)13-9-17-14(16-13)12-6-7-15-8-12/h2-5,9,12,15H,6-8H2,1H3
InChIKeyLMAAJNUEWGATJA-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.20
Rot. Bonds2

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

4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole (PubChem CID 116965359) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
PubChem CID116965359
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole
SMILESCc1ccc(-c2csc(C3CCNC3)n2)cc1
InChIInChI=1S/C14H16N2S/c1-10-2-4-11(5-3-10)13-9-17-14(16-13)12-6-7-15-8-12/h2-5,9,12,15H,6-8H2,1H3
InChIKeyLMAAJNUEWGATJA-UHFFFAOYSA-N
XLogP3.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-methylphenyl)-2-piperidin-3-yl-1,3-thiazole
CID 62540732
4-phenyl-2-piperidin-4-yl-1,3-thiazole;dihydrochloride
CID 50988268
4-(3-fluorophenyl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965376
4-(2-piperidin-4-yl-1,3-thiazol-4-yl)benzonitrile
CID 62540016
4-(4-chlorophenyl)-2-piperidin-4-yl-1,3-thiazole;hydron;chloride
CID 71677757
2,4-di(pyrrolidin-3-yl)-1,3-thiazole
CID 115034162
hydron;4-phenyl-2-piperidin-4-yl-1,3-thiazole;chloride
CID 71677758
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
2-(1-ethylpiperidin-1-ium-4-yl)-4-(4-methylphenyl)-1,3-thiazole
CID 7038475
4-(3,5-ditert-butylphenyl)-2-piperidin-4-yl-1,3-thiazole
CID 59210176

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole (CID 116965359) is 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole is Cc1ccc(-c2csc(C3CCNC3)n2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole?
The InChIKey is LMAAJNUEWGATJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-2-4-11(5-3-10)13-9-17-14(16-13)12-6-7-15-8-12/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole?
4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole has a molecular weight of 244.36 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-2-pyrrolidin-3-yl-1,3-thiazole is sourced from PubChem (CID 116965359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).