1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine

C12H13FN2S — CID 65018114

IUPAC1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1cscn1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-2-9(4-10)5-11(14)6-12-7-16-8-15-12/h1-4,7-8,11H,5-6,14H2
InChIKeyGRPLWQRVZREAIB-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine

1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine (PubChem CID 65018114) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
PubChem CID65018114
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
SMILESNC(Cc1cccc(F)c1)Cc1cscn1
InChIInChI=1S/C12H13FN2S/c13-10-3-1-2-9(4-10)5-11(14)6-12-7-16-8-15-12/h1-4,7-8,11H,5-6,14H2
InChIKeyGRPLWQRVZREAIB-UHFFFAOYSA-N
XLogP2.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine
CID 65017845
2-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 60697544
1-(2,6-difluorophenyl)-3-(3-fluorophenyl)propan-2-amine
CID 114931874
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
1-(5-fluoro-2-methylphenyl)-3-(3-fluorophenyl)propan-2-amine
CID 105373749
1-[3-fluoro-4-(1,3-thiazol-4-ylmethoxy)phenyl]propan-2-amine
CID 107693106
1-(3-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473637
1-(3-fluorophenyl)nonan-2-amine
CID 63417129
1-(3-fluorophenyl)-5,5-dimethylhexan-2-amine
CID 62602141
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
2-(3-fluorophenyl)-1-(4-methylthiophen-3-yl)ethanamine
CID 79803199
1-(3-fluorophenyl)-5-phenoxypentan-2-amine
CID 62936292

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine (CID 65018114) is 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine is NC(Cc1cccc(F)c1)Cc1cscn1.
What is the InChIKey of 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
The InChIKey is GRPLWQRVZREAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c13-10-3-1-2-9(4-10)5-11(14)6-12-7-16-8-15-12/h1-4,7-8,11H,5-6,14H2.
What are the key properties of 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine?
1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine has a molecular weight of 236.32 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-(1,3-thiazol-4-yl)propan-2-amine is sourced from PubChem (CID 65018114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).