N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine

C14H10N4S — CID 171343905

IUPACN-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine
SMILESc1ccc(Nc2nc3ccc4cn[nH]c4c3s2)cc1
InChIInChI=1S/C14H10N4S/c1-2-4-10(5-3-1)16-14-17-11-7-6-9-8-15-18-12(9)13(11)19-14/h1-8H,(H,15,18)(H,16,17)
InChIKeyGVVWEFDCKSHEOU-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.92
Rot. Bonds2

About N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine

N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine (PubChem CID 171343905) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine.

Molecular Properties

Compound NameN-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine
PubChem CID171343905
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC NameN-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine
SMILESc1ccc(Nc2nc3ccc4cn[nH]c4c3s2)cc1
InChIInChI=1S/C14H10N4S/c1-2-4-10(5-3-1)16-14-17-11-7-6-9-8-15-18-12(9)13(11)19-14/h1-8H,(H,15,18)(H,16,17)
InChIKeyGVVWEFDCKSHEOU-UHFFFAOYSA-N
XLogP3.92
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-anilino-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
CID 135726636
N-phenyl-1,3-benzothiazol-2-amine;1H-pyrazole-5-carboxamide
CID 174676859
7-methyl-N-phenyl-[1,3]thiazolo[4,5-b]pyridin-2-amine
CID 13481974
5-(5-methyl-3-pyridinyl)-N-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-amine
CID 88563844
2-N,7-N-diphenyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine
CID 11529827
1H-[1]benzothiolo[2,3-g]indazole
CID 166069972
N-(5-methyl-1H-pyrazol-4-yl)-1,3-benzothiazol-2-amine
CID 47470237
N-phenyl-5-quinolin-2-yl-1,3,4-thiadiazol-2-amine
CID 24938565
4-N-phenyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 76847078
N-(4-methoxyphenyl)-3-phenyl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine
CID 20587771
N-phenyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 15017642
2-anilino-6,7-dimethoxy-3,1-benzothiazin-4-one
CID 110193650

Frequently Asked Questions

What is the IUPAC name of N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine?
The IUPAC name of N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine (CID 171343905) is N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine.
What is the SMILES notation for N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine?
The canonical SMILES for N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine is c1ccc(Nc2nc3ccc4cn[nH]c4c3s2)cc1.
What is the InChIKey of N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine?
The InChIKey is GVVWEFDCKSHEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-2-4-10(5-3-1)16-14-17-11-7-6-9-8-15-18-12(9)13(11)19-14/h1-8H,(H,15,18)(H,16,17).
What are the key properties of N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine?
N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine has a molecular weight of 266.33 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-1H-pyrazolo[4,5-g][1,3]benzothiazol-7-amine is sourced from PubChem (CID 171343905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).