N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine

C11H14F3N5S — CID 154736316

IUPACN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1nnc(CNc2ncc(C(F)(F)F)s2)n1C
InChIInChI=1S/C11H14F3N5S/c1-6(2)9-18-17-8(19(9)3)5-16-10-15-4-7(20-10)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16)
InChIKeyOCACESZFPHCNNP-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.03
Rot. Bonds4

About N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine

N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 154736316) has the molecular formula C11H14F3N5S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID154736316
Molecular FormulaC11H14F3N5S
Molecular Weight305.33 g/mol
Exact Mass305.09
IUPAC NameN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)c1nnc(CNc2ncc(C(F)(F)F)s2)n1C
InChIInChI=1S/C11H14F3N5S/c1-6(2)9-18-17-8(19(9)3)5-16-10-15-4-7(20-10)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16)
InChIKeyOCACESZFPHCNNP-UHFFFAOYSA-N
XLogP3.03
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine (CID 154736316) is N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)c1nnc(CNc2ncc(C(F)(F)F)s2)n1C.
What is the InChIKey of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OCACESZFPHCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N5S/c1-6(2)9-18-17-8(19(9)3)5-16-10-15-4-7(20-10)11(12,13)14/h4,6H,5H2,1-3H3,(H,15,16).
What are the key properties of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine?
N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 305.33 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-5-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 154736316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).