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

C11H11F3N4S — CID 63091595

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1csc(C(C)Nc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F3N4S/c1-6-5-19-9(16-6)7(2)17-10-15-4-3-8(18-10)11(12,13)14/h3-5,7H,1-2H3,(H,15,17,18)
InChIKeyMQSMTTUMSHXWFX-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.43
Rot. Bonds3

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

N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 63091595) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID63091595
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCc1csc(C(C)Nc2nccc(C(F)(F)F)n2)n1
InChIInChI=1S/C11H11F3N4S/c1-6-5-19-9(16-6)7(2)17-10-15-4-3-8(18-10)11(12,13)14/h3-5,7H,1-2H3,(H,15,17,18)
InChIKeyMQSMTTUMSHXWFX-UHFFFAOYSA-N
XLogP3.43
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375286
2-N-methyl-4-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565229
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
2-hydrazinyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 80917622
N-[1-(4-chlorophenyl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60726904
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 60727078
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95620017
2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 32877986
N-[1-(2H-tetrazol-5-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 64584120
N-(1-chloro-4,4-dimethylpentan-3-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 106354403

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 63091595) is N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is Cc1csc(C(C)Nc2nccc(C(F)(F)F)n2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MQSMTTUMSHXWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c1-6-5-19-9(16-6)7(2)17-10-15-4-3-8(18-10)11(12,13)14/h3-5,7H,1-2H3,(H,15,17,18).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 288.30 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 63091595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).