N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H16F2N2S — CID 61246080

IUPACN-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2cc(F)cc(F)c2)=N1
InChIInChI=1S/C13H16F2N2S/c1-8(2)3-12-7-18-13(17-12)16-11-5-9(14)4-10(15)6-11/h4-6,8,12H,3,7H2,1-2H3,(H,16,17)
InChIKeyCVMPXYJMRQEOEY-UHFFFAOYSA-N
MW270.35 g/mol
LogP3.89
Rot. Bonds3

About N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61246080) has the molecular formula C13H16F2N2S and a molecular weight of 270.35 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61246080
Molecular FormulaC13H16F2N2S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC NameN-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(Nc2cc(F)cc(F)c2)=N1
InChIInChI=1S/C13H16F2N2S/c1-8(2)3-12-7-18-13(17-12)16-11-5-9(14)4-10(15)6-11/h4-6,8,12H,3,7H2,1-2H3,(H,16,17)
InChIKeyCVMPXYJMRQEOEY-UHFFFAOYSA-N
XLogP3.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61246080) is N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(Nc2cc(F)cc(F)c2)=N1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CVMPXYJMRQEOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2S/c1-8(2)3-12-7-18-13(17-12)16-11-5-9(14)4-10(15)6-11/h4-6,8,12H,3,7H2,1-2H3,(H,16,17).
What are the key properties of N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 270.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61246080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).