2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide

C18H25N5O2S — CID 16670824

IUPAC2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide
SMILESCCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(=O)NC(C)C)nc3c12
InChIInChI=1S/C18H25N5O2S/c1-7-12-11(6)26-17-14(12)16-21-22(8-13(24)19-10(4)5)18(25)23(16)15(20-17)9(2)3/h9-10H,7-8H2,1-6H3,(H,19,24)
InChIKeyANSDWIOVLQSTRO-UHFFFAOYSA-N
MW375.50 g/mol
LogP2.62
Rot. Bonds5

About 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide

2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide (PubChem CID 16670824) has the molecular formula C18H25N5O2S and a molecular weight of 375.50 g/mol. Its IUPAC name is 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide
PubChem CID16670824
Molecular FormulaC18H25N5O2S
Molecular Weight375.50 g/mol
Exact Mass375.17
IUPAC Name2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide
SMILESCCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(=O)NC(C)C)nc3c12
InChIInChI=1S/C18H25N5O2S/c1-7-12-11(6)26-17-14(12)16-21-22(8-13(24)19-10(4)5)18(25)23(16)15(20-17)9(2)3/h9-10H,7-8H2,1-6H3,(H,19,24)
InChIKeyANSDWIOVLQSTRO-UHFFFAOYSA-N
XLogP2.62
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.50
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide (CID 16670824) is 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide is CCc1c(C)sc2nc(C(C)C)n3c(=O)n(CC(=O)NC(C)C)nc3c12.
What is the InChIKey of 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide?
The InChIKey is ANSDWIOVLQSTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2S/c1-7-12-11(6)26-17-14(12)16-21-22(8-13(24)19-10(4)5)18(25)23(16)15(20-17)9(2)3/h9-10H,7-8H2,1-6H3,(H,19,24).
What are the key properties of 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide?
2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide has a molecular weight of 375.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(12-ethyl-11-methyl-5-oxo-7-propan-2-yl-10-thia-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 16670824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).