2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine

C14H17FN2S — CID 83977634

IUPAC2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
SMILESCc1nc(C(CN)Cc2ccc(F)cc2)sc1C
InChIInChI=1S/C14H17FN2S/c1-9-10(2)18-14(17-9)12(8-16)7-11-3-5-13(15)6-4-11/h3-6,12H,7-8,16H2,1-2H3
InChIKeyPNMNIYNKVASTFQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.18
Rot. Bonds4

About 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine

2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 83977634) has the molecular formula C14H17FN2S and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID83977634
Molecular FormulaC14H17FN2S
Molecular Weight264.37 g/mol
Exact Mass264.11
IUPAC Name2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
SMILESCc1nc(C(CN)Cc2ccc(F)cc2)sc1C
InChIInChI=1S/C14H17FN2S/c1-9-10(2)18-14(17-9)12(8-16)7-11-3-5-13(15)6-4-11/h3-6,12H,7-8,16H2,1-2H3
InChIKeyPNMNIYNKVASTFQ-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine (CID 83977634) is 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine is Cc1nc(C(CN)Cc2ccc(F)cc2)sc1C.
What is the InChIKey of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is PNMNIYNKVASTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2S/c1-9-10(2)18-14(17-9)12(8-16)7-11-3-5-13(15)6-4-11/h3-6,12H,7-8,16H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 264.37 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 83977634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).