3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile

C10H11F3N4S — CID 103382178

IUPAC3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N4S/c11-10(12,13)6-1-3-17(4-2-6)9-7(5-14)8(15)16-18-9/h6H,1-4H2,(H2,15,16)
InChIKeyUMEZVLMWYWMGPF-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.38
Rot. Bonds1

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

3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile (PubChem CID 103382178) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
PubChem CID103382178
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
SMILESN#Cc1c(N)nsc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N4S/c11-10(12,13)6-1-3-17(4-2-6)9-7(5-14)8(15)16-18-9/h6H,1-4H2,(H2,15,16)
InChIKeyUMEZVLMWYWMGPF-UHFFFAOYSA-N
XLogP2.38
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Amino-5-(piperidin-1-yl)-1,2-thiazole-4-carbonitrile
CID 14171388
4-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362746
4-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363234
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-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103381693
3-Amino-5-[methyl(3,3,3-trifluoropropyl)amino]-1,2-thiazole-4-carbonitrile
CID 103382165
3-Amino-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile
CID 103382172
3-Amino-5-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]-1,2-thiazole-4-carbonitrile
CID 103383020
3-Amino-5-(4,4,4-trifluorobutylamino)-1,2-thiazole-4-carbonitrile
CID 103383850
3-Amino-5-(5,5,5-trifluoropentylamino)-1,2-thiazole-4-carbonitrile
CID 103383875

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile (CID 103382178) is 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile is N#Cc1c(N)nsc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
The InChIKey is UMEZVLMWYWMGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c11-10(12,13)6-1-3-17(4-2-6)9-7(5-14)8(15)16-18-9/h6H,1-4H2,(H2,15,16).
What are the key properties of 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile?
3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile has a molecular weight of 276.29 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 103382178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).