N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

C11H11N5S3 — CID 103333961

IUPACN-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2nncs2)c2cc(C)sc2n1
InChIInChI=1S/C11H11N5S3/c1-3-12-10-14-8-7(4-6(2)18-8)9(15-10)19-11-16-13-5-17-11/h4-5H,3H2,1-2H3,(H,12,14,15)
InChIKeyWHARIOBYHVHLBB-UHFFFAOYSA-N
MW309.45 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine

N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333961) has the molecular formula C11H11N5S3 and a molecular weight of 309.45 g/mol. Its IUPAC name is N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
PubChem CID103333961
Molecular FormulaC11H11N5S3
Molecular Weight309.45 g/mol
Exact Mass309.02
IUPAC NameN-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine
SMILESCCNc1nc(Sc2nncs2)c2cc(C)sc2n1
InChIInChI=1S/C11H11N5S3/c1-3-12-10-14-8-7(4-6(2)18-8)9(15-10)19-11-16-13-5-17-11/h4-5H,3H2,1-2H3,(H,12,14,15)
InChIKeyWHARIOBYHVHLBB-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

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Related Compounds

N-ethyl-5-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80893038
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334889
N-ethyl-4-(3-fluorophenyl)sulfanyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335231
N-ethyl-6-methyl-4-pyrimidin-4-ylsulfanylthieno[2,3-d]pyrimidin-2-amine
CID 103335001
4-cyclohexylsulfanyl-N-ethyl-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 103334576
3-[2-(ethylamino)-6-methylthieno[2,3-d]pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 103334802
6-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 103333877
2-N-ethyl-4-N-(3-ethylpentan-2-yl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327956
4-N-(2,2-dimethylpropyl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103325438
4-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329938
N,2-diethyl-5-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80991279
N-ethyl-2-methyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80893372

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine (CID 103333961) is N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine is CCNc1nc(Sc2nncs2)c2cc(C)sc2n1.
What is the InChIKey of N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
The InChIKey is WHARIOBYHVHLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S3/c1-3-12-10-14-8-7(4-6(2)18-8)9(15-10)19-11-16-13-5-17-11/h4-5H,3H2,1-2H3,(H,12,14,15).
What are the key properties of N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine?
N-ethyl-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)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-6-methyl-4-(1,3,4-thiadiazol-2-ylsulfanyl)thieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).