4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

C15H15F3N2S — CID 66477956

IUPAC4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C(F)(F)F)cc1Cc1sc(N)nc1C1CC1
InChIInChI=1S/C15H15F3N2S/c1-8-2-5-11(15(16,17)18)6-10(8)7-12-13(9-3-4-9)20-14(19)21-12/h2,5-6,9H,3-4,7H2,1H3,(H2,19,20)
InChIKeyWPRQGMSMJGSNKV-UHFFFAOYSA-N
MW312.36 g/mol
LogP4.52
Rot. Bonds3

About 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine

4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (PubChem CID 66477956) has the molecular formula C15H15F3N2S and a molecular weight of 312.36 g/mol. Its IUPAC name is 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
PubChem CID66477956
Molecular FormulaC15H15F3N2S
Molecular Weight312.36 g/mol
Exact Mass312.09
IUPAC Name4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine
SMILESCc1ccc(C(F)(F)F)cc1Cc1sc(N)nc1C1CC1
InChIInChI=1S/C15H15F3N2S/c1-8-2-5-11(15(16,17)18)6-10(8)7-12-13(9-3-4-9)20-14(19)21-12/h2,5-6,9H,3-4,7H2,1H3,(H2,19,20)
InChIKeyWPRQGMSMJGSNKV-UHFFFAOYSA-N
XLogP4.52
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine (CID 66477956) is 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is Cc1ccc(C(F)(F)F)cc1Cc1sc(N)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
The InChIKey is WPRQGMSMJGSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2S/c1-8-2-5-11(15(16,17)18)6-10(8)7-12-13(9-3-4-9)20-14(19)21-12/h2,5-6,9H,3-4,7H2,1H3,(H2,19,20).
What are the key properties of 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine?
4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine has a molecular weight of 312.36 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[[2-methyl-5-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 66477956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).