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

C4H4F2N2S — CID 146026664

IUPAC3-(difluoromethyl)-1,2-thiazol-5-amine
SMILESNc1cc(C(F)F)ns1
InChIInChI=1S/C4H4F2N2S/c5-4(6)2-1-3(7)9-8-2/h1,4H,7H2
InChIKeyYJBQNZKYXCXCBO-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.66
Rot. Bonds1

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

3-(difluoromethyl)-1,2-thiazol-5-amine (PubChem CID 146026664) has the molecular formula C4H4F2N2S and a molecular weight of 150.15 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,2-thiazol-5-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1,2-thiazol-5-amine
PubChem CID146026664
Molecular FormulaC4H4F2N2S
Molecular Weight150.15 g/mol
Exact Mass150.01
IUPAC Name3-(difluoromethyl)-1,2-thiazol-5-amine
SMILESNc1cc(C(F)F)ns1
InChIInChI=1S/C4H4F2N2S/c5-4(6)2-1-3(7)9-8-2/h1,4H,7H2
InChIKeyYJBQNZKYXCXCBO-UHFFFAOYSA-N
XLogP1.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,2-thiazol-5-amine?
The IUPAC name of 3-(difluoromethyl)-1,2-thiazol-5-amine (CID 146026664) is 3-(difluoromethyl)-1,2-thiazol-5-amine.
What is the SMILES notation for 3-(difluoromethyl)-1,2-thiazol-5-amine?
The canonical SMILES for 3-(difluoromethyl)-1,2-thiazol-5-amine is Nc1cc(C(F)F)ns1.
What is the InChIKey of 3-(difluoromethyl)-1,2-thiazol-5-amine?
The InChIKey is YJBQNZKYXCXCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N2S/c5-4(6)2-1-3(7)9-8-2/h1,4H,7H2.
What are the key properties of 3-(difluoromethyl)-1,2-thiazol-5-amine?
3-(difluoromethyl)-1,2-thiazol-5-amine has a molecular weight of 150.15 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,2-thiazol-5-amine is sourced from PubChem (CID 146026664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).