N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine

C11H11N5S3 — CID 103335287

IUPACN-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2nc(C)ns2)c2ccsc2n1
InChIInChI=1S/C11H11N5S3/c1-3-12-10-14-8-7(4-5-17-8)9(15-10)18-11-13-6(2)16-19-11/h4-5H,3H2,1-2H3,(H,12,14,15)
InChIKeyJLBXHFHHUXYHIH-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine

N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103335287) has the molecular formula C11H11N5S3 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
PubChem CID103335287
Molecular FormulaC11H11N5S3
Molecular Weight309.45 g/mol
Exact Mass309.02
IUPAC NameN-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2nc(C)ns2)c2ccsc2n1
InChIInChI=1S/C11H11N5S3/c1-3-12-10-14-8-7(4-5-17-8)9(15-10)18-11-13-6(2)16-19-11/h4-5H,3H2,1-2H3,(H,12,14,15)
InChIKeyJLBXHFHHUXYHIH-UHFFFAOYSA-N
XLogP3.43
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine with MolForge

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Related Compounds

N-ethyl-4-(4-methylphenyl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334288
N-ethyl-4-(1-methylpyrazol-4-yl)sulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103334675
2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 103334011
4-[2-(dimethylamino)ethylsulfanyl]-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103335254
3-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylbutan-2-ol
CID 107772919
4-(cyclopentylmethylsulfanyl)-N-ethylthieno[2,3-d]pyrimidin-2-amine
CID 103334935
2-N-ethyl-4-N-(2-methylpropyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324100
N-methyl-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334519
tert-butyl 2-[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetate
CID 103335390
4-(3-methylphenyl)sulfanyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103334616
2-[[2-(ethylamino)thieno[2,3-d]pyrimidin-4-yl]amino]butan-1-ol
CID 103324825
N-ethyl-4-(2-methylphenoxy)thieno[2,3-d]pyrimidin-2-amine
CID 103331842

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine (CID 103335287) is N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Sc2nc(C)ns2)c2ccsc2n1.
What is the InChIKey of N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is JLBXHFHHUXYHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S3/c1-3-12-10-14-8-7(4-5-17-8)9(15-10)18-11-13-6(2)16-19-11/h4-5H,3H2,1-2H3,(H,12,14,15).
What are the key properties of N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine has a molecular weight of 309.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103335287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).