4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine

C14H11N3S2 — CID 18691176

IUPAC4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
SMILESCc1ccsc1-c1nc2c3ccsc3ccn2c1N
InChIInChI=1S/C14H11N3S2/c1-8-3-6-19-12(8)11-13(15)17-5-2-10-9(4-7-18-10)14(17)16-11/h2-7H,15H2,1H3
InChIKeyBBJAREVTQMIYGD-UHFFFAOYSA-N
MW285.40 g/mol
LogP4.17
Rot. Bonds1

About 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine

4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine (PubChem CID 18691176) has the molecular formula C14H11N3S2 and a molecular weight of 285.40 g/mol. Its IUPAC name is 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine.

Molecular Properties

Compound Name4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
PubChem CID18691176
Molecular FormulaC14H11N3S2
Molecular Weight285.40 g/mol
Exact Mass285.04
IUPAC Name4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
SMILESCc1ccsc1-c1nc2c3ccsc3ccn2c1N
InChIInChI=1S/C14H11N3S2/c1-8-3-6-19-12(8)11-13(15)17-5-2-10-9(4-7-18-10)14(17)16-11/h2-7H,15H2,1H3
InChIKeyBBJAREVTQMIYGD-UHFFFAOYSA-N
XLogP4.17
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine with MolForge

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Related Compounds

8-methyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619167
2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63619127
6-chloro-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 63617755
N-ethyl-4-(2-methylphenyl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine
CID 18691135
6-N,6-N-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridine-3,6-diamine
CID 63617794
2,5-dimethyl-6-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 79991553
3-methyl-4-(3-methylthiophen-2-yl)aniline
CID 78973947
5,6-dimethyl-2-(3-methylthiophen-2-yl)pyrimidin-4-amine
CID 62203881
methyl N-[3-(ethylamino)-2-(3-methylthiophen-2-yl)imidazo[2,1-a]isoquinolin-9-yl]carbamate
CID 139817170
2-(3-methylthiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62202099
8-fluoro-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
CID 82528948
8-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 63616942

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
The IUPAC name of 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine (CID 18691176) is 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine.
What is the SMILES notation for 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
The canonical SMILES for 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine is Cc1ccsc1-c1nc2c3ccsc3ccn2c1N.
What is the InChIKey of 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
The InChIKey is BBJAREVTQMIYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S2/c1-8-3-6-19-12(8)11-13(15)17-5-2-10-9(4-7-18-10)14(17)16-11/h2-7H,15H2,1H3.
What are the key properties of 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine?
4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine has a molecular weight of 285.40 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylthiophen-2-yl)-10-thia-3,6-diazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-5-amine is sourced from PubChem (CID 18691176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).