2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile

C5H2F3N3S — CID 18758402

IUPAC2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N)nc1C(F)(F)F
InChIInChI=1S/C5H2F3N3S/c6-5(7,8)3-2(1-9)12-4(10)11-3/h(H2,10,11)
InChIKeyAPPKJRRASVSBHQ-UHFFFAOYSA-N
MW193.15 g/mol
LogP1.62
Rot. Bonds

About 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile

2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile (PubChem CID 18758402) has the molecular formula C5H2F3N3S and a molecular weight of 193.15 g/mol. Its IUPAC name is 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
PubChem CID18758402
Molecular FormulaC5H2F3N3S
Molecular Weight193.15 g/mol
Exact Mass192.99
IUPAC Name2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile
SMILESN#Cc1sc(N)nc1C(F)(F)F
InChIInChI=1S/C5H2F3N3S/c6-5(7,8)3-2(1-9)12-4(10)11-3/h(H2,10,11)
InChIKeyAPPKJRRASVSBHQ-UHFFFAOYSA-N
XLogP1.62
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.15
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile (CID 18758402) is 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is N#Cc1sc(N)nc1C(F)(F)F.
What is the InChIKey of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
The InChIKey is APPKJRRASVSBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N3S/c6-5(7,8)3-2(1-9)12-4(10)11-3/h(H2,10,11).
What are the key properties of 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile?
2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 193.15 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(trifluoromethyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 18758402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).