4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

C10H14F3N3S — CID 103363223

IUPAC4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1snc(N)c1C1CC1
InChIInChI=1S/C10H14F3N3S/c1-16(5-4-10(11,12)13)9-7(6-2-3-6)8(14)15-17-9/h6H,2-5H2,1H3,(H2,14,15)
InChIKeyAFTJYYGRCXOLTG-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.99
Rot. Bonds4

About 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363223) has the molecular formula C10H14F3N3S and a molecular weight of 265.30 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103363223
Molecular FormulaC10H14F3N3S
Molecular Weight265.30 g/mol
Exact Mass265.09
IUPAC Name4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1snc(N)c1C1CC1
InChIInChI=1S/C10H14F3N3S/c1-16(5-4-10(11,12)13)9-7(6-2-3-6)8(14)15-17-9/h6H,2-5H2,1H3,(H2,14,15)
InChIKeyAFTJYYGRCXOLTG-UHFFFAOYSA-N
XLogP2.99
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103363223) is 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is CN(CCC(F)(F)F)c1snc(N)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is AFTJYYGRCXOLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3S/c1-16(5-4-10(11,12)13)9-7(6-2-3-6)8(14)15-17-9/h6H,2-5H2,1H3,(H2,14,15).
What are the key properties of 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 265.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).