4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine

C12H12F2N2S — CID 60676021

IUPAC4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-2-6-15-12-16-10(7-17-12)11-8(13)4-3-5-9(11)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyPWOWDWJGTPDAPA-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.91
Rot. Bonds4

About 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine

4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine (PubChem CID 60676021) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
PubChem CID60676021
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2c(F)cccc2F)cs1
InChIInChI=1S/C12H12F2N2S/c1-2-6-15-12-16-10(7-17-12)11-8(13)4-3-5-9(11)14/h3-5,7H,2,6H2,1H3,(H,15,16)
InChIKeyPWOWDWJGTPDAPA-UHFFFAOYSA-N
XLogP3.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine (CID 60676021) is 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2c(F)cccc2F)cs1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine?
The InChIKey is PWOWDWJGTPDAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-2-6-15-12-16-10(7-17-12)11-8(13)4-3-5-9(11)14/h3-5,7H,2,6H2,1H3,(H,15,16).
What are the key properties of 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine?
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine has a molecular weight of 254.31 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 60676021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).