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

C17H18F3N7S — CID 130419636

IUPACN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)c2ncn[nH]2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H18F3N7S/c1-8-12(28-14(24-8)16(2,3)13-22-7-23-27-13)26-15-21-6-10(17(18,19)20)11(25-15)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,21,25,26)(H,22,23,27)
InChIKeyIYFHFGNACVXDGZ-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.33
Rot. Bonds5

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

N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine (PubChem CID 130419636) 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-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
PubChem CID130419636
Molecular FormulaC17H18F3N7S
Molecular Weight409.44 g/mol
Exact Mass409.13
IUPAC NameN-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(C(C)(C)c2ncn[nH]2)sc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C17H18F3N7S/c1-8-12(28-14(24-8)16(2,3)13-22-7-23-27-13)26-15-21-6-10(17(18,19)20)11(25-15)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,21,25,26)(H,22,23,27)
InChIKeyIYFHFGNACVXDGZ-UHFFFAOYSA-N
XLogP4.33
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(2-methyltetrazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 130419638
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[1-(1H-1,2,4-triazol-5-yl)cyclopropyl]-1,3-thiazol-5-amine
CID 130419643
N-(aminomethylidene)-N'-[2-[5-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazol-2-yl]propan-2-yl]methanimidamide
CID 130419644
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
4-methyl-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 158767139
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(triazol-2-yl)propan-2-yl]-1,3-thiazol-5-amine
CID 162218871
5-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 31125971

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-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-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine (CID 130419636) is N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-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-(1H-1,2,4-triazol-5-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-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine is Cc1nc(C(C)(C)c2ncn[nH]2)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-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine?
The InChIKey is IYFHFGNACVXDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N7S/c1-8-12(28-14(24-8)16(2,3)13-22-7-23-27-13)26-15-21-6-10(17(18,19)20)11(25-15)9-4-5-9/h6-7,9H,4-5H2,1-3H3,(H,21,25,26)(H,22,23,27).
What are the key properties of N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine?
N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine has a molecular weight of 409.44 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]-4-methyl-2-[2-(1H-1,2,4-triazol-5-yl)propan-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 130419636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).