5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine

C11H10N4S3 — CID 652283

IUPAC5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CSc2nc3ccccc3s2)s1
InChIInChI=1S/C11H10N4S3/c1-12-10-15-14-9(18-10)6-16-11-13-7-4-2-3-5-8(7)17-11/h2-5H,6H2,1H3,(H,12,15)
InChIKeyJIXLSNXRPINJAQ-UHFFFAOYSA-N
MW294.43 g/mol
LogP3.48
Rot. Bonds4

About 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine

5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 652283) has the molecular formula C11H10N4S3 and a molecular weight of 294.43 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID652283
Molecular FormulaC11H10N4S3
Molecular Weight294.43 g/mol
Exact Mass294.01
IUPAC Name5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(CSc2nc3ccccc3s2)s1
InChIInChI=1S/C11H10N4S3/c1-12-10-15-14-9(18-10)6-16-11-13-7-4-2-3-5-8(7)17-11/h2-5H,6H2,1H3,(H,12,15)
InChIKeyJIXLSNXRPINJAQ-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine (CID 652283) is 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(CSc2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JIXLSNXRPINJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S3/c1-12-10-15-14-9(18-10)6-16-11-13-7-4-2-3-5-8(7)17-11/h2-5H,6H2,1H3,(H,12,15).
What are the key properties of 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine?
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 294.43 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 652283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).