N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine

C10H10F3N5S3 — CID 114566913

IUPACN-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2nnc(SC)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S3/c1-3-14-7-15-5(10(11,12)13)4-6(16-7)20-9-18-17-8(19-2)21-9/h4H,3H2,1-2H3,(H,14,15,16)
InChIKeyRXQWBYUWLWFEHA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.65
Rot. Bonds5

About N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114566913) has the molecular formula C10H10F3N5S3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114566913
Molecular FormulaC10H10F3N5S3
Molecular Weight353.42 g/mol
Exact Mass353.01
IUPAC NameN-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(Sc2nnc(SC)s2)cc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3N5S3/c1-3-14-7-15-5(10(11,12)13)4-6(16-7)20-9-18-17-8(19-2)21-9/h4H,3H2,1-2H3,(H,14,15,16)
InChIKeyRXQWBYUWLWFEHA-UHFFFAOYSA-N
XLogP3.65
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-tert-butylsulfanyl-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566701
N-ethyl-4-pyrimidin-4-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566849
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566792
N-methyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775288
4-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566898
N-ethyl-4-(2-methoxyethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566738
4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566901
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
N-ethyl-4-(2-methylsulfonylethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566632
3-[[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280556
5-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 114563049
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine (CID 114566913) is N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(Sc2nnc(SC)s2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is RXQWBYUWLWFEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5S3/c1-3-14-7-15-5(10(11,12)13)4-6(16-7)20-9-18-17-8(19-2)21-9/h4H,3H2,1-2H3,(H,14,15,16).
What are the key properties of N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 353.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114566913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).