N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

C14H16F2N2S — CID 55129663

IUPACN-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C14H16F2N2S/c1-14(2,3)17-7-13-18-12(8-19-13)10-6-9(15)4-5-11(10)16/h4-6,8,17H,7H2,1-3H3
InChIKeyRTIOQRUUXFCTLG-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.98
Rot. Bonds3

About N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine

N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (PubChem CID 55129663) has the molecular formula C14H16F2N2S and a molecular weight of 282.36 g/mol. Its IUPAC name is N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
PubChem CID55129663
Molecular FormulaC14H16F2N2S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC NameN-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc(-c2cc(F)ccc2F)cs1
InChIInChI=1S/C14H16F2N2S/c1-14(2,3)17-7-13-18-12(8-19-13)10-6-9(15)4-5-11(10)16/h4-6,8,17H,7H2,1-3H3
InChIKeyRTIOQRUUXFCTLG-UHFFFAOYSA-N
XLogP3.98
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine (CID 55129663) is N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1nc(-c2cc(F)ccc2F)cs1.
What is the InChIKey of N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RTIOQRUUXFCTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2S/c1-14(2,3)17-7-13-18-12(8-19-13)10-6-9(15)4-5-11(10)16/h4-6,8,17H,7H2,1-3H3.
What are the key properties of N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine?
N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.36 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 55129663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).