6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine

C18H13N5S — CID 171714525

IUPAC6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2ccc3nc(N)sc3c2)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C18H13N5S/c1-9-6-15(10-2-3-13-16(7-10)24-18(19)22-13)21-14-5-4-12-11(17(9)14)8-20-23-12/h2-8H,1H3,(H2,19,22)(H,20,23)
InChIKeyFVKOUZMPDKTQKK-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.28
Rot. Bonds1

About 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine

6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine (PubChem CID 171714525) has the molecular formula C18H13N5S and a molecular weight of 331.40 g/mol. Its IUPAC name is 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine
PubChem CID171714525
Molecular FormulaC18H13N5S
Molecular Weight331.40 g/mol
Exact Mass331.09
IUPAC Name6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine
SMILESCc1cc(-c2ccc3nc(N)sc3c2)nc2ccc3[nH]ncc3c12
InChIInChI=1S/C18H13N5S/c1-9-6-15(10-2-3-13-16(7-10)24-18(19)22-13)21-14-5-4-12-11(17(9)14)8-20-23-12/h2-8H,1H3,(H2,19,22)(H,20,23)
InChIKeyFVKOUZMPDKTQKK-UHFFFAOYSA-N
XLogP4.28
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-amino-1H-pyrazol-5-yl)-1,3-benzothiazol-2-amine
CID 174825755
6-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine
CID 170567486
6-(3-methylphenyl)-1,3-benzothiazol-2-amine
CID 143885488
6-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348821
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
2-amino-N-methyl-N-(4-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 65349067
7-[(3Z)-4-(2-amino-5-methyl-1,3-thiazol-4-yl)buta-1,3-dien-2-yl]-3H-pyrazolo[4,5-f]quinoline-9-carboxylic acid
CID 155151820
5-(4-methyl-1H-indazol-5-yl)-1H-indazol-3-amine
CID 142763266
6-pyrimidin-2-yl-1,3-benzothiazol-2-amine
CID 122184482
(2R,13R,14S,16S,17R)-13-(2-amino-1,3-benzothiazol-6-yl)-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene-16,17-diol
CID 169279509
6-N,6-N-dimethyl-1,3-benzothiazole-2,6-diamine
CID 17244961
2-amino-N-(4-fluorophenyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349019

Frequently Asked Questions

What is the IUPAC name of 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine (CID 171714525) is 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine is Cc1cc(-c2ccc3nc(N)sc3c2)nc2ccc3[nH]ncc3c12.
What is the InChIKey of 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine?
The InChIKey is FVKOUZMPDKTQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5S/c1-9-6-15(10-2-3-13-16(7-10)24-18(19)22-13)21-14-5-4-12-11(17(9)14)8-20-23-12/h2-8H,1H3,(H2,19,22)(H,20,23).
What are the key properties of 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine?
6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine has a molecular weight of 331.40 g/mol, XLogP of 4.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-methyl-3H-pyrazolo[4,5-f]quinolin-7-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 171714525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).