N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine

C19H13N3S2 — CID 156805035

IUPACN-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
SMILESCc1cc2cc3nccc(Nc4ccc5scnc5c4)c3cc2s1
InChIInChI=1S/C19H13N3S2/c1-11-6-12-7-16-14(9-19(12)24-11)15(4-5-20-16)22-13-2-3-18-17(8-13)21-10-23-18/h2-10H,1H3,(H,20,22)
InChIKeyMYAZEVKZUSEBIT-UHFFFAOYSA-N
MW347.47 g/mol
LogP6.11
Rot. Bonds2

About N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine

N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine (PubChem CID 156805035) has the molecular formula C19H13N3S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
PubChem CID156805035
Molecular FormulaC19H13N3S2
Molecular Weight347.47 g/mol
Exact Mass347.06
IUPAC NameN-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine
SMILESCc1cc2cc3nccc(Nc4ccc5scnc5c4)c3cc2s1
InChIInChI=1S/C19H13N3S2/c1-11-6-12-7-16-14(9-19(12)24-11)15(4-5-20-16)22-13-2-3-18-17(8-13)21-10-23-18/h2-10H,1H3,(H,20,22)
InChIKeyMYAZEVKZUSEBIT-UHFFFAOYSA-N
XLogP6.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.47
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine (CID 156805035) is N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine is Cc1cc2cc3nccc(Nc4ccc5scnc5c4)c3cc2s1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine?
The InChIKey is MYAZEVKZUSEBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3S2/c1-11-6-12-7-16-14(9-19(12)24-11)15(4-5-20-16)22-13-2-3-18-17(8-13)21-10-23-18/h2-10H,1H3,(H,20,22).
What are the key properties of N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine?
N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine has a molecular weight of 347.47 g/mol, XLogP of 6.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-5-yl)-2-methylthieno[2,3-g]quinolin-8-amine is sourced from PubChem (CID 156805035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).