5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine

C12H12N4S2 — CID 79819322

IUPAC5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cc2nc3ccccc3s2)s1
InChIInChI=1S/C12H12N4S2/c1-2-13-12-16-15-11(18-12)7-10-14-8-5-3-4-6-9(8)17-10/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyBMSRVUWTIUWRIR-UHFFFAOYSA-N
MW276.39 g/mol
LogP3.17
Rot. Bonds4

About 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine

5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 79819322) has the molecular formula C12H12N4S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID79819322
Molecular FormulaC12H12N4S2
Molecular Weight276.39 g/mol
Exact Mass276.05
IUPAC Name5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(Cc2nc3ccccc3s2)s1
InChIInChI=1S/C12H12N4S2/c1-2-13-12-16-15-11(18-12)7-10-14-8-5-3-4-6-9(8)17-10/h3-6H,2,7H2,1H3,(H,13,16)
InChIKeyBMSRVUWTIUWRIR-UHFFFAOYSA-N
XLogP3.17
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(1,3-benzothiazol-2-ylmethyl)-N-ethylpyridin-2-amine
CID 79818277
5-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 80614644
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 133426341
N-ethyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938566
1-(1,3-benzothiazol-2-yl)-N-methylbutan-2-amine
CID 63201773
2-(thiophen-3-ylmethyl)-1,3-benzothiazole
CID 102192956
N-ethyl-5-(phenylmethoxymethyl)-1,3,4-thiadiazol-2-amine
CID 80608751
2-[2-(bromomethyl)-2-methylbutyl]-1,3-benzothiazole
CID 104632449
N-[[3-(1,3-benzothiazol-2-ylmethyl)furan-2-yl]methyl]ethanamine
CID 106887601
2-(1,3-benzothiazol-2-ylmethoxy)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide
CID 24648096
1-(1,3-benzothiazol-2-ylmethyl)-3-ethyl-1-methylurea
CID 47128028
1-[4-(1,3-benzothiazol-2-ylmethyl)thiophen-2-yl]-N-methylmethanamine
CID 79818826

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine (CID 79819322) is 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is CCNc1nnc(Cc2nc3ccccc3s2)s1.
What is the InChIKey of 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BMSRVUWTIUWRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S2/c1-2-13-12-16-15-11(18-12)7-10-14-8-5-3-4-6-9(8)17-10/h3-6H,2,7H2,1H3,(H,13,16).
What are the key properties of 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine?
5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-ylmethyl)-N-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 79819322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).