N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

C15H14N6OS — CID 58801398

IUPACN,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2sc(OCc3ccccn3)nc2c2c1ncn2C
InChIInChI=1S/C15H14N6OS/c1-16-13-10-12(21(2)8-18-10)11-14(20-13)23-15(19-11)22-7-9-5-3-4-6-17-9/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyFHXQTQYFBDMAPX-UHFFFAOYSA-N
MW326.39 g/mol
LogP2.59
Rot. Bonds4

About N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine

N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (PubChem CID 58801398) has the molecular formula C15H14N6OS and a molecular weight of 326.39 g/mol. Its IUPAC name is N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.

Molecular Properties

Compound NameN,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
PubChem CID58801398
Molecular FormulaC15H14N6OS
Molecular Weight326.39 g/mol
Exact Mass326.09
IUPAC NameN,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
SMILESCNc1nc2sc(OCc3ccccn3)nc2c2c1ncn2C
InChIInChI=1S/C15H14N6OS/c1-16-13-10-12(21(2)8-18-10)11-14(20-13)23-15(19-11)22-7-9-5-3-4-6-17-9/h3-6,8H,7H2,1-2H3,(H,16,20)
InChIKeyFHXQTQYFBDMAPX-UHFFFAOYSA-N
XLogP2.59
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine with MolForge

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Related Compounds

4-[(5-Methyl-1,3-thiazol-2-yl)methoxy]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 121401336
4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 118334997
7-morpholin-4-yl-5-propylsulfanyl-N-pyridin-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 137634110
5-fluoro-2-[(4-fluorophenyl)methoxy]-N-[[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]methyl]pyrimidin-4-amine
CID 57819016
4-(6-methoxy-3-pyridinyl)-N,12-dimethyl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 11151540
12-methyl-8-(methylamino)-N-(pyridin-2-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4-carboxamide
CID 11394062
8-N,12-dimethyl-4-N-(pyridin-3-ylmethyl)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaene-4,8-diamine
CID 11416112
5-[2-[4-[[3-(2-Ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]ethyl]-4-methyl-1,3-thiazole
CID 19911574
N,12-dimethyl-4-pyridin-3-yl-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine
CID 21083921
3-(6-Methoxymethylpyridin-2-ylmethyl)-7-(4-methylthiazol-2-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-ylamine
CID 44555151
1-[3-[[4-(Methoxymethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 56942592
1-[4-[[4-(Methoxymethyl)-6-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)pyrimidin-2-yl]amino]piperidin-1-yl]prop-2-en-1-one
CID 56942746

Frequently Asked Questions

What is the IUPAC name of N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The IUPAC name of N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine (CID 58801398) is N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine.
What is the SMILES notation for N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The canonical SMILES for N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is CNc1nc2sc(OCc3ccccn3)nc2c2c1ncn2C.
What is the InChIKey of N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
The InChIKey is FHXQTQYFBDMAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6OS/c1-16-13-10-12(21(2)8-18-10)11-14(20-13)23-15(19-11)22-7-9-5-3-4-6-17-9/h3-6,8H,7H2,1-2H3,(H,16,20).
What are the key properties of N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine?
N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine has a molecular weight of 326.39 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,12-dimethyl-4-(pyridin-2-ylmethoxy)-5-thia-3,7,10,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7,10-pentaen-8-amine is sourced from PubChem (CID 58801398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).