4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

C17H22N2S — CID 62540204

IUPAC4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCC(C)c1sc(CC2CCCN2)nc1-c1ccccc1
InChIInChI=1S/C17H22N2S/c1-12(2)17-16(13-7-4-3-5-8-13)19-15(20-17)11-14-9-6-10-18-14/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3
InChIKeyOPTMRJLTZVHZQX-UHFFFAOYSA-N
MW286.44 g/mol
LogP4.23
Rot. Bonds4

About 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole

4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 62540204) has the molecular formula C17H22N2S and a molecular weight of 286.44 g/mol. Its IUPAC name is 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID62540204
Molecular FormulaC17H22N2S
Molecular Weight286.44 g/mol
Exact Mass286.15
IUPAC Name4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCC(C)c1sc(CC2CCCN2)nc1-c1ccccc1
InChIInChI=1S/C17H22N2S/c1-12(2)17-16(13-7-4-3-5-8-13)19-15(20-17)11-14-9-6-10-18-14/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3
InChIKeyOPTMRJLTZVHZQX-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829043
2-(chloromethyl)-4-phenyl-5-propan-2-yl-1,3-thiazole
CID 62921644
4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829049
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62632691
1-[3-phenyl-5-(pyrrolidin-2-ylmethyl)-1,2-thiazol-4-yl]propan-1-one;hydrochloride
CID 67941757
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
cumene;pyrrolidin-2-ylmethanol
CID 142237933
4-bromo-5-ethyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 83694099
4-phenyl-5-propan-2-yl-2-pyrrolidin-2-yl-1H-imidazole
CID 43650699
4-(4-propan-2-yloxyphenyl)-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540561

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 62540204) is 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is CC(C)c1sc(CC2CCCN2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is OPTMRJLTZVHZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2S/c1-12(2)17-16(13-7-4-3-5-8-13)19-15(20-17)11-14-9-6-10-18-14/h3-5,7-8,12,14,18H,6,9-11H2,1-2H3.
What are the key properties of 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 286.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 62540204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).