1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

C14H20N2OS — CID 83176126

IUPAC1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccoc1)Cc1nc(C)cs1
InChIInChI=1S/C14H20N2OS/c1-3-5-15-13(7-12-4-6-17-9-12)8-14-16-11(2)10-18-14/h4,6,9-10,13,15H,3,5,7-8H2,1-2H3
InChIKeyJIGPLSMTXYSDTG-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.20
Rot. Bonds7

About 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine

1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (PubChem CID 83176126) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
PubChem CID83176126
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccoc1)Cc1nc(C)cs1
InChIInChI=1S/C14H20N2OS/c1-3-5-15-13(7-12-4-6-17-9-12)8-14-16-11(2)10-18-14/h4,6,9-10,13,15H,3,5,7-8H2,1-2H3
InChIKeyJIGPLSMTXYSDTG-UHFFFAOYSA-N
XLogP3.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214200
1-(4-ethylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796548
1-(4-methyl-1,3-thiazol-2-yl)-N-propylundecan-2-amine
CID 63416762
1-(3-bromothiophen-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 55120538
1-(2,5-dichlorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 65321483
1-(4-methyl-1,3-thiazol-2-yl)-N-propylhex-5-yn-2-amine
CID 63644001
1-(5-fluoro-2-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 105373850
1-(furan-3-yl)-3-(3-methylphenyl)-N-propylpropan-2-amine
CID 83175808
1-(2,5-difluorophenyl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine
CID 62796725
N-ethyl-1-(4-methylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 62796365
4-methylidene-1-(4-methyl-1,3-thiazol-2-yl)-N-propylhexan-2-amine
CID 66038753
1-(4-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)-N-propylpropan-2-amine
CID 55120537

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine (CID 83176126) is 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccoc1)Cc1nc(C)cs1.
What is the InChIKey of 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
The InChIKey is JIGPLSMTXYSDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-5-15-13(7-12-4-6-17-9-12)8-14-16-11(2)10-18-14/h4,6,9-10,13,15H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine?
1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-(4-methyl-1,3-thiazol-2-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 83176126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).