3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

C10H12F3N5S — CID 103381693

IUPAC3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H12F3N5S/c11-10(12,13)6-17-1-3-18(4-2-17)9-7(5-14)8(15)16-19-9/h1-4,6H2,(H2,15,16)
InChIKeyVADMJXGYECCOOM-UHFFFAOYSA-N
MW291.30 g/mol
LogP1.28
Rot. Bonds2

About 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile

3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 103381693) has the molecular formula C10H12F3N5S and a molecular weight of 291.30 g/mol. Its IUPAC name is 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID103381693
Molecular FormulaC10H12F3N5S
Molecular Weight291.30 g/mol
Exact Mass291.08
IUPAC Name3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H12F3N5S/c11-10(12,13)6-17-1-3-18(4-2-17)9-7(5-14)8(15)16-19-9/h1-4,6H2,(H2,15,16)
InChIKeyVADMJXGYECCOOM-UHFFFAOYSA-N
XLogP1.28
TPSA69.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-Amino-5-(piperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 14171388
5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360596
4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360697
5-N-ethyl-4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360706
4-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360727
4-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362746
5-N,4-dimethyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363222
5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine
CID 103365692
3-Amino-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379591
3-Amino-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379702
3-Amino-5-[ethyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-carbonitrile
CID 103379711
3-Amino-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carbonitrile
CID 103380139

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile (CID 103381693) is 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is VADMJXGYECCOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5S/c11-10(12,13)6-17-1-3-18(4-2-17)9-7(5-14)8(15)16-19-9/h1-4,6H2,(H2,15,16).
What are the key properties of 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile?
3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 291.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103381693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).