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

C14H13ClF3N7S — CID 158767137

IUPAC4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(Nc2sc(C(C)(C)n3cncn3)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H13ClF3N7S/c1-7-8(14(16,17)18)4-20-12(22-7)24-10-9(15)23-11(26-10)13(2,3)25-6-19-5-21-25/h4-6H,1-3H3,(H,20,22,24)
InChIKeyKOBGSKCMBYHCAP-UHFFFAOYSA-N
MW403.82 g/mol
LogP4.03
Rot. Bonds4

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

4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine (PubChem CID 158767137) has the molecular formula C14H13ClF3N7S and a molecular weight of 403.82 g/mol. Its IUPAC name is 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
PubChem CID158767137
Molecular FormulaC14H13ClF3N7S
Molecular Weight403.82 g/mol
Exact Mass403.06
IUPAC Name4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine
SMILESCc1nc(Nc2sc(C(C)(C)n3cncn3)nc2Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H13ClF3N7S/c1-7-8(14(16,17)18)4-20-12(22-7)24-10-9(15)23-11(26-10)13(2,3)25-6-19-5-21-25/h4-6H,1-3H3,(H,20,22,24)
InChIKeyKOBGSKCMBYHCAP-UHFFFAOYSA-N
XLogP4.03
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.82
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-N-methyl-2-N-[4-methyl-2-[1-(1,2,4-triazol-1-yl)ethyl]-1,3-thiazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419522
4-N-ethyl-2-N-[4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419637
4-N-methyl-2-N-[4-methyl-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419640
2-N-[4-chloro-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419645
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
2-[4-Chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanenitrile
CID 159132272
2-[4-Chloro-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 159132274
2-[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 159930774
[4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]-(1,2,4-triazol-1-yl)methanone
CID 159930775
2-Methyl-2-[4-methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 159930776
4-Methyl-5-[[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carbonitrile
CID 161948395

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
The IUPAC name of 4-chloro-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 158767137) is 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
The canonical SMILES for 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine is Cc1nc(Nc2sc(C(C)(C)n3cncn3)nc2Cl)ncc1C(F)(F)F.
What is the InChIKey of 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
The InChIKey is KOBGSKCMBYHCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N7S/c1-7-8(14(16,17)18)4-20-12(22-7)24-10-9(15)23-11(26-10)13(2,3)25-6-19-5-21-25/h4-6H,1-3H3,(H,20,22,24).
What are the key properties of 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine?
4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine has a molecular weight of 403.82 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-methyl-5-(trifluoromethyl)pyrimidin-2-yl]-2-[2-(1,2,4-triazol-1-yl)propan-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 158767137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).