6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine

C19H18N4O2S — CID 126700906

IUPAC6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine
SMILESCCOc1cc2c3c(c1)nc(-c1ccc4nc(N)sc4c1)n3CCCO2
InChIInChI=1S/C19H18N4O2S/c1-2-24-12-9-14-17-15(10-12)25-7-3-6-23(17)18(21-14)11-4-5-13-16(8-11)26-19(20)22-13/h4-5,8-10H,2-3,6-7H2,1H3,(H2,20,22)
InChIKeyPBTXXMUSDUNZLW-UHFFFAOYSA-N
MW366.45 g/mol
LogP4.08
Rot. Bonds3

About 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine

6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine (PubChem CID 126700906) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine
PubChem CID126700906
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine
SMILESCCOc1cc2c3c(c1)nc(-c1ccc4nc(N)sc4c1)n3CCCO2
InChIInChI=1S/C19H18N4O2S/c1-2-24-12-9-14-17-15(10-12)25-7-3-6-23(17)18(21-14)11-4-5-13-16(8-11)26-19(20)22-13/h4-5,8-10H,2-3,6-7H2,1H3,(H2,20,22)
InChIKeyPBTXXMUSDUNZLW-UHFFFAOYSA-N
XLogP4.08
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraene
CID 126701181
(2S)-1-[2-(2-amino-1,3-benzothiazol-6-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrrolidine-2-carboxamide
CID 126699960
tert-butyl N-[6-(6-hydroxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-yl]carbamate
CID 126700041
2-(1,3-benzothiazol-6-yl)-N-(cyclopropylmethyl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-amine
CID 145271913
(2S)-2-[[2-(3-amino-1,2,4-benzotriazin-7-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide
CID 126699994
(2R)-2-[[2-(2-amino-7-fluoro-1,3-benzothiazol-6-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide
CID 126700806
(2S)-2-[[2-(2-amino-7-fluoro-1,3-benzothiazol-6-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide
CID 126700807
6-(2-ethyl-1,2,4-triazol-3-yl)-1,3-benzothiazol-2-amine
CID 65348347
(2S)-2-[[2-(1,3-benzothiazol-6-yl)-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-6-yl]amino]-2-cyclopropylacetamide
CID 126700785
3-(6-ethoxy-1,3-benzothiazol-2-yl)-1,3-oxazolidin-2-one
CID 11837258
(2R)-2-[4-[2-(2-amino-[1,3]thiazolo[5,4-b]pyridin-5-yl)-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]pyrazol-1-yl]butanamide
CID 126700009
(2R)-2-[[2-[4-(1H-1,2,4-triazol-5-yl)phenyl]-9-oxa-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4(14),5,7-tetraen-6-yl]oxy]propanamide
CID 140945604

Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine?
The IUPAC name of 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine (CID 126700906) is 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine is CCOc1cc2c3c(c1)nc(-c1ccc4nc(N)sc4c1)n3CCCO2.
What is the InChIKey of 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine?
The InChIKey is PBTXXMUSDUNZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-2-24-12-9-14-17-15(10-12)25-7-3-6-23(17)18(21-14)11-4-5-13-16(8-11)26-19(20)22-13/h4-5,8-10H,2-3,6-7H2,1H3,(H2,20,22).
What are the key properties of 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine?
6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine has a molecular weight of 366.45 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-1,3-benzothiazol-2-amine is sourced from PubChem (CID 126700906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).