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

C11H11F3N4S — CID 133403744

IUPACN,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cnc(N(C)Cc2nc(C(F)(F)F)cs2)nc1
InChIInChI=1S/C11H11F3N4S/c1-7-3-15-10(16-4-7)18(2)5-9-17-8(6-19-9)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyKZOVDEHXUPKBQK-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.90
Rot. Bonds3

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

N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine (PubChem CID 133403744) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
PubChem CID133403744
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine
SMILESCc1cnc(N(C)Cc2nc(C(F)(F)F)cs2)nc1
InChIInChI=1S/C11H11F3N4S/c1-7-3-15-10(16-4-7)18(2)5-9-17-8(6-19-9)11(12,13)14/h3-4,6H,5H2,1-2H3
InChIKeyKZOVDEHXUPKBQK-UHFFFAOYSA-N
XLogP2.90
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-Methyl-4-thiazolyl)ethynyl]pyrimidine
CID 11600877
N,N-diethyl-5-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidin-2-amine
CID 16662331
2-(2-Methylpyrrolidin-1-yl)-5-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyrimidine
CID 16662936
2-Methyl-4-[2-[2-(3-methylpiperidin-1-yl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
CID 16662937
2-Methyl-4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethynyl]-1,3-thiazole
CID 16662938
2-Methyl-4-[2-(2-propan-2-yloxypyrimidin-5-yl)ethynyl]-1,3-thiazole
CID 16663131
4-[2-(2-Tert-butylsulfanylpyrimidin-5-yl)ethynyl]-2-methyl-1,3-thiazole
CID 16663134
2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 130409012
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
CID 130419719
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
Dimethialium
CID 161140
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine (CID 133403744) is N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine is Cc1cnc(N(C)Cc2nc(C(F)(F)F)cs2)nc1.
What is the InChIKey of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine?
The InChIKey is KZOVDEHXUPKBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-7-3-15-10(16-4-7)18(2)5-9-17-8(6-19-9)11(12,13)14/h3-4,6H,5H2,1-2H3.
What are the key properties of N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine?
N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine has a molecular weight of 288.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 133403744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).