4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine

C5H6F2N2S — CID 123700908

IUPAC4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine
SMILESCc1nc(C(F)F)c(N)s1
InChIInChI=1S/C5H6F2N2S/c1-2-9-3(4(6)7)5(8)10-2/h4H,8H2,1H3
InChIKeyYRJUYTVSTRKZRO-UHFFFAOYSA-N
MW164.18 g/mol
LogP1.97
Rot. Bonds1

About 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine

4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine (PubChem CID 123700908) has the molecular formula C5H6F2N2S and a molecular weight of 164.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine
PubChem CID123700908
Molecular FormulaC5H6F2N2S
Molecular Weight164.18 g/mol
Exact Mass164.02
IUPAC Name4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine
SMILESCc1nc(C(F)F)c(N)s1
InChIInChI=1S/C5H6F2N2S/c1-2-9-3(4(6)7)5(8)10-2/h4H,8H2,1H3
InChIKeyYRJUYTVSTRKZRO-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine?
The IUPAC name of 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine (CID 123700908) is 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine is Cc1nc(C(F)F)c(N)s1.
What is the InChIKey of 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine?
The InChIKey is YRJUYTVSTRKZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2S/c1-2-9-3(4(6)7)5(8)10-2/h4H,8H2,1H3.
What are the key properties of 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine?
4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine has a molecular weight of 164.18 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-methyl-1,3-thiazol-5-amine is sourced from PubChem (CID 123700908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).