N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C12H13N5OS3 — CID 133407778

IUPACN-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2ncnc3sc(C)cc23)s1
InChIInChI=1S/C12H13N5OS3/c1-7-5-8-9(19-7)14-6-15-10(8)20-12-17-16-11(21-12)13-3-4-18-2/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyIZIVUEXBTWCUHV-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.06
Rot. Bonds6

About N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 133407778) has the molecular formula C12H13N5OS3 and a molecular weight of 339.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID133407778
Molecular FormulaC12H13N5OS3
Molecular Weight339.47 g/mol
Exact Mass339.03
IUPAC NameN-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2ncnc3sc(C)cc23)s1
InChIInChI=1S/C12H13N5OS3/c1-7-5-8-9(19-7)14-6-15-10(8)20-12-17-16-11(21-12)13-3-4-18-2/h5-6H,3-4H2,1-2H3,(H,13,16)
InChIKeyIZIVUEXBTWCUHV-UHFFFAOYSA-N
XLogP3.06
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-5-[[(7S)-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 9336449
N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142185
5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 4819058
N-(2-methoxyethyl)-5-[(4-methylsulfanylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7969896
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 4819732
N-(2-methoxyethyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18194883
1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296
N-(2-methoxyethyl)-5-(4-methyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133413670
N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 16582461
N-[2-(4-methoxyphenoxy)ethyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 133408034
N-(3,4-dimethylphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7969674
2-[2-[(6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethoxy]ethanol
CID 28850882

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 133407778) is N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is COCCNc1nnc(Sc2ncnc3sc(C)cc23)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IZIVUEXBTWCUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5OS3/c1-7-5-8-9(19-7)14-6-15-10(8)20-12-17-16-11(21-12)13-3-4-18-2/h5-6H,3-4H2,1-2H3,(H,13,16).
What are the key properties of N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 339.47 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133407778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).