4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine

C13H19F3N4S — CID 103364109

IUPAC4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCN(CC(F)(F)F)C2)c1C1CC1
InChIInChI=1S/C13H19F3N4S/c14-13(15,16)7-20-4-3-8(6-20)5-18-12-10(9-1-2-9)11(17)19-21-12/h8-9,18H,1-7H2,(H2,17,19)
InChIKeyNBQKZXYKPUNQFE-UHFFFAOYSA-N
MW320.38 g/mol
LogP2.90
Rot. Bonds5

About 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine (PubChem CID 103364109) has the molecular formula C13H19F3N4S and a molecular weight of 320.38 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
PubChem CID103364109
Molecular FormulaC13H19F3N4S
Molecular Weight320.38 g/mol
Exact Mass320.13
IUPAC Name4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC2CCN(CC(F)(F)F)C2)c1C1CC1
InChIInChI=1S/C13H19F3N4S/c14-13(15,16)7-20-4-3-8(6-20)5-18-12-10(9-1-2-9)11(17)19-21-12/h8-9,18H,1-7H2,(H2,17,19)
InChIKeyNBQKZXYKPUNQFE-UHFFFAOYSA-N
XLogP2.90
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine with MolForge

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Related Compounds

4-cyclopropyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360597
4-cyclopropyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360707
4-cyclopropyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361149
4-cyclopropyl-5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361719
4-Cyclopropyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362747
4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363223
4-Cyclopropyl-5-[3-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363229
4-Cyclopropyl-5-[4-(trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363235
4-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103363599
4-methyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine
CID 103364108
4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364766
4-cyclopropyl-5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364951

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine (CID 103364109) is 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine is Nc1nsc(NCC2CCN(CC(F)(F)F)C2)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
The InChIKey is NBQKZXYKPUNQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4S/c14-13(15,16)7-20-4-3-8(6-20)5-18-12-10(9-1-2-9)11(17)19-21-12/h8-9,18H,1-7H2,(H2,17,19).
What are the key properties of 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine has a molecular weight of 320.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).