3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

C14H17F3N2OS — CID 106785127

IUPAC3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H17F3N2OS/c1-2-7-18-11(6-5-10-4-3-8-20-10)12-9-19-13(21-12)14(15,16)17/h3-4,8-9,11,18H,2,5-7H2,1H3
InChIKeyIZVLGWNDUVXNMK-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.43
Rot. Bonds7

About 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine

3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (PubChem CID 106785127) has the molecular formula C14H17F3N2OS and a molecular weight of 318.36 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
PubChem CID106785127
Molecular FormulaC14H17F3N2OS
Molecular Weight318.36 g/mol
Exact Mass318.10
IUPAC Name3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine
SMILESCCCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1
InChIInChI=1S/C14H17F3N2OS/c1-2-7-18-11(6-5-10-4-3-8-20-10)12-9-19-13(21-12)14(15,16)17/h3-4,8-9,11,18H,2,5-7H2,1H3
InChIKeyIZVLGWNDUVXNMK-UHFFFAOYSA-N
XLogP4.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 86787922
1-(2-ethylfuran-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 105729769
N-[(2-ethylfuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 105729770
N-[(2-ethylfuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 105729772
(2-Ethylfuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 105729773
[(2-Ethylfuran-3-yl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]hydrazine
CID 105732367
Furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106782471
Furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783174
N-[furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 106783175
N-[furan-2-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783176
1-(furan-3-yl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783246
N-[furan-3-yl-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106783247

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The IUPAC name of 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine (CID 106785127) is 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is CCCNC(CCc1ccco1)c1cnc(C(F)(F)F)s1.
What is the InChIKey of 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
The InChIKey is IZVLGWNDUVXNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS/c1-2-7-18-11(6-5-10-4-3-8-20-10)12-9-19-13(21-12)14(15,16)17/h3-4,8-9,11,18H,2,5-7H2,1H3.
What are the key properties of 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine?
3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine has a molecular weight of 318.36 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-propyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]propan-1-amine is sourced from PubChem (CID 106785127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).