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

C17H18F3N7S — CID 138482887

IUPACN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)n2cncn2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H18F3N7S/c1-9-13(28-14(24-9)16(2,3)27-8-21-7-23-27)26-15-22-6-11(17(18,19)20)12(25-15)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,22,25,26)
InChIKeyYNLHCGBIOJQYNN-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.26
Rot. Bonds5

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

N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine (PubChem CID 138482887) has the molecular formula C17H18F3N7S and a molecular weight of 409.44 g/mol. Its IUPAC name is N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
PubChem CID138482887
Molecular FormulaC17H18F3N7S
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC NameN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)n2cncn2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H18F3N7S/c1-9-13(28-14(24-9)16(2,3)27-8-21-7-23-27)26-15-22-6-11(17(18,19)20)12(25-15)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,22,25,26)
InChIKeyYNLHCGBIOJQYNN-UHFFFAOYSA-N
XLogP4.26
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
The IUPAC name of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine (CID 138482887) is N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
The canonical SMILES for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine is Cc1nc(C(C)(C)n2cncn2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
The InChIKey is YNLHCGBIOJQYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7S/c1-9-13(28-14(24-9)16(2,3)27-8-21-7-23-27)26-15-22-6-11(17(18,19)20)12(25-15)10-4-5-10/h6-8,10H,4-5H2,1-3H3,(H,22,25,26).
What are the key properties of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine has a molecular weight of 409.44 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 138482887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).