N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

C12H14N6S2 — CID 126840173

IUPACN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCc1nsc(NCCNc2ncnc3sccc23)n1
InChIInChI=1S/C12H14N6S2/c1-2-9-17-12(20-18-9)14-5-4-13-10-8-3-6-19-11(8)16-7-15-10/h3,6-7H,2,4-5H2,1H3,(H,13,15,16)(H,14,17,18)
InChIKeyBJAZMBMEBUQPOI-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.63
Rot. Bonds6

About N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine

N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (PubChem CID 126840173) has the molecular formula C12H14N6S2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
PubChem CID126840173
Molecular FormulaC12H14N6S2
Molecular Weight306.42 g/mol
Exact Mass306.07
IUPAC NameN'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
SMILESCCc1nsc(NCCNc2ncnc3sccc23)n1
InChIInChI=1S/C12H14N6S2/c1-2-9-17-12(20-18-9)14-5-4-13-10-8-3-6-19-11(8)16-7-15-10/h3,6-7H,2,4-5H2,1H3,(H,13,15,16)(H,14,17,18)
InChIKeyBJAZMBMEBUQPOI-UHFFFAOYSA-N
XLogP2.63
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-octylthieno[2,3-d]pyrimidin-4-amine
CID 13038312
N-propyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 62663560
N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine;dihydrochloride
CID 122163962
N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 67600724
N-[(E)-pent-3-enyl]thieno[2,3-d]pyrimidin-4-amine
CID 115628477
N-(2,2-dimethylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 13038283
3-(thieno[2,3-d]pyrimidin-4-ylamino)propanenitrile
CID 9107580
N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 115637407
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 39746305
N-[2-(4-methylpiperazin-1-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 60702109
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106404505
N'-(3-methyl-5-nitroimidazol-4-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 126840175

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine (CID 126840173) is N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is CCc1nsc(NCCNc2ncnc3sccc23)n1.
What is the InChIKey of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is BJAZMBMEBUQPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S2/c1-2-9-17-12(20-18-9)14-5-4-13-10-8-3-6-19-11(8)16-7-15-10/h3,6-7H,2,4-5H2,1H3,(H,13,15,16)(H,14,17,18).
What are the key properties of N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine?
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 306.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 126840173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).