N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

C16H17N3OS — CID 104790597

IUPACN-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCCNc1nc(-c2ccoc2C)nc2sc3c(c12)CCC3
InChIInChI=1S/C16H17N3OS/c1-3-17-15-13-11-5-4-6-12(11)21-16(13)19-14(18-15)10-7-8-20-9(10)2/h7-8H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyXTBMWUUFDHXTQS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.18
Rot. Bonds3

About N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine

N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (PubChem CID 104790597) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.

Molecular Properties

Compound NameN-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
PubChem CID104790597
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
SMILESCCNc1nc(-c2ccoc2C)nc2sc3c(c12)CCC3
InChIInChI=1S/C16H17N3OS/c1-3-17-15-13-11-5-4-6-12(11)21-16(13)19-14(18-15)10-7-8-20-9(10)2/h7-8H,3-6H2,1-2H3,(H,17,18,19)
InChIKeyXTBMWUUFDHXTQS-UHFFFAOYSA-N
XLogP4.18
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-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

N-ethyl-10-pyrazin-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 62189359
10-(furan-2-yl)-N-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63486599
[10-(3-methylfuran-2-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-yl]hydrazine
CID 104806953
N-ethyl-10-propan-2-yl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 62189030
N-methyl-2-(3-methylfuran-2-yl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 104806548
N-ethyl-5,6-dimethyl-2-(2-methylfuran-3-yl)pyrimidin-4-amine
CID 104790643
10-butan-2-yl-N-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 55230177
10-butyl-N-ethyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 79412708
N-ethyl-10-(oxolan-2-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 65328320
N-ethyl-10-(3-methylbutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 63486253
N-ethyl-5,6-dimethyl-2-(3-methylfuran-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 104806560
N-ethyl-10-(1-methoxycyclobutyl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 116728461

Frequently Asked Questions

What is the IUPAC name of N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The IUPAC name of N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine (CID 104790597) is N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine.
What is the SMILES notation for N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The canonical SMILES for N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is CCNc1nc(-c2ccoc2C)nc2sc3c(c12)CCC3.
What is the InChIKey of N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
The InChIKey is XTBMWUUFDHXTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-3-17-15-13-11-5-4-6-12(11)21-16(13)19-14(18-15)10-7-8-20-9(10)2/h7-8H,3-6H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine?
N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine has a molecular weight of 299.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-10-(2-methylfuran-3-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine is sourced from PubChem (CID 104790597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).