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

C13H16N2OS — CID 62632691

IUPAC4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1-c1ccco1
InChIInChI=1S/C13H16N2OS/c1-9-13(11-5-3-7-16-11)15-12(17-9)8-10-4-2-6-14-10/h3,5,7,10,14H,2,4,6,8H2,1H3
InChIKeyNZOMSFIYSJHMMR-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.01
Rot. Bonds3

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

4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (PubChem CID 62632691) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
PubChem CID62632691
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
SMILESCc1sc(CC2CCCN2)nc1-c1ccco1
InChIInChI=1S/C13H16N2OS/c1-9-13(11-5-3-7-16-11)15-12(17-9)8-10-4-2-6-14-10/h3,5,7,10,14H,2,4,6,8H2,1H3
InChIKeyNZOMSFIYSJHMMR-UHFFFAOYSA-N
XLogP3.01
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829049
5-methyl-4-pyridin-3-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829043
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
4-phenyl-5-propan-2-yl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62540204
4-cyclohexyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116829047
4-(furan-2-yl)-6-methoxy-2-(pyrrolidin-2-ylmethyl)pyrimidine
CID 82665682
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
4-(furan-2-yl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
CID 62632333
6-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 79511727
2-[4-(furan-2-yl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 62633980
5-(1,1-difluoroethyl)-4-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 84803169
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106615340

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole (CID 62632691) is 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is Cc1sc(CC2CCCN2)nc1-c1ccco1.
What is the InChIKey of 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
The InChIKey is NZOMSFIYSJHMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-13(11-5-3-7-16-11)15-12(17-9)8-10-4-2-6-14-10/h3,5,7,10,14H,2,4,6,8H2,1H3.
What are the key properties of 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole?
4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole has a molecular weight of 248.35 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 62632691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).