4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine

C9H14N6S3 — CID 63737504

IUPAC4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H14N6S3/c1-4-10-7-6(11-14-18-7)5-16-9-13-12-8(17-9)15(2)3/h10H,4-5H2,1-3H3
InChIKeyOJXNZZSRRDIKNN-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.18
Rot. Bonds6

About 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine

4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine (PubChem CID 63737504) has the molecular formula C9H14N6S3 and a molecular weight of 302.45 g/mol. Its IUPAC name is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine
PubChem CID63737504
Molecular FormulaC9H14N6S3
Molecular Weight302.45 g/mol
Exact Mass302.04
IUPAC Name4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine
SMILESCCNc1snnc1CSc1nnc(N(C)C)s1
InChIInChI=1S/C9H14N6S3/c1-4-10-7-6(11-14-18-7)5-16-9-13-12-8(17-9)15(2)3/h10H,4-5H2,1-3H3
InChIKeyOJXNZZSRRDIKNN-UHFFFAOYSA-N
XLogP2.18
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The IUPAC name of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine (CID 63737504) is 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine.
What is the SMILES notation for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The canonical SMILES for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine is CCNc1snnc1CSc1nnc(N(C)C)s1.
What is the InChIKey of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine?
The InChIKey is OJXNZZSRRDIKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S3/c1-4-10-7-6(11-14-18-7)5-16-9-13-12-8(17-9)15(2)3/h10H,4-5H2,1-3H3.
What are the key properties of 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine?
4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine has a molecular weight of 302.45 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-N-ethylthiadiazol-5-amine is sourced from PubChem (CID 63737504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).