6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine

C12H16N2S2 — CID 82548843

IUPAC6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2ccc(SCC)cc2s1
InChIInChI=1S/C12H16N2S2/c1-3-7-13-12-14-10-6-5-9(15-4-2)8-11(10)16-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyVDAXBLKYBZFSRD-UHFFFAOYSA-N
MW252.41 g/mol
LogP4.23
Rot. Bonds5

About 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine

6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine (PubChem CID 82548843) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine
PubChem CID82548843
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC Name6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine
SMILESCCCNc1nc2ccc(SCC)cc2s1
InChIInChI=1S/C12H16N2S2/c1-3-7-13-12-14-10-6-5-9(15-4-2)8-11(10)16-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyVDAXBLKYBZFSRD-UHFFFAOYSA-N
XLogP4.23
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethylsulfanyl-N-(2-phenylethyl)-1,3-benzothiazol-2-amine
CID 82548837
6-phenoxy-N-propyl-1,3-benzothiazol-2-amine
CID 82549639
6-methyl-N-pentyl-1,3-benzothiazol-2-amine
CID 79142327
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79525880
N-propyl-5,6,7,8-tetrahydrobenzo[f][1,3]benzothiazol-2-amine
CID 82548511
6-bromo-N-octyl-1,3-benzothiazol-2-amine
CID 115569155
N-(2-butoxyethyl)-6-chloro-1,3-benzothiazol-2-amine
CID 79526073
6-chloro-N-(2-ethoxyethyl)-1,3-benzothiazol-2-amine
CID 79529020
6-chloro-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79526174
ethyl 3-[2-(propylamino)-1,3-benzothiazol-6-yl]propanoate
CID 82548458
2-ethoxyethyl 2-(propylamino)-1,3-benzothiazole-6-carboxylate
CID 82549183
6-methyl-N-(3-methylsulfanylpropyl)-1,3-benzothiazol-2-amine
CID 79142262

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine (CID 82548843) is 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine is CCCNc1nc2ccc(SCC)cc2s1.
What is the InChIKey of 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine?
The InChIKey is VDAXBLKYBZFSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-3-7-13-12-14-10-6-5-9(15-4-2)8-11(10)16-12/h5-6,8H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine?
6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine has a molecular weight of 252.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfanyl-N-propyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 82548843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).