N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide

C16H19N7OS — CID 56722046

IUPACN-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nnc2n1CCN(c1nc(C)nc3sccc13)CC2
InChIInChI=1S/C16H19N7OS/c1-10-18-15(12-4-8-25-16(12)19-10)22-5-3-13-20-21-14(9-17-11(2)24)23(13)7-6-22/h4,8H,3,5-7,9H2,1-2H3,(H,17,24)
InChIKeyZMZRUKVTJBDBNQ-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.29
Rot. Bonds3

About N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide

N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide (PubChem CID 56722046) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
PubChem CID56722046
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC NameN-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nnc2n1CCN(c1nc(C)nc3sccc13)CC2
InChIInChI=1S/C16H19N7OS/c1-10-18-15(12-4-8-25-16(12)19-10)22-5-3-13-20-21-14(9-17-11(2)24)23(13)7-6-22/h4,8H,3,5-7,9H2,1-2H3,(H,17,24)
InChIKeyZMZRUKVTJBDBNQ-UHFFFAOYSA-N
XLogP1.29
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide 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 N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
The IUPAC name of N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide (CID 56722046) is N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide is CC(=O)NCc1nnc2n1CCN(c1nc(C)nc3sccc13)CC2.
What is the InChIKey of N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
The InChIKey is ZMZRUKVTJBDBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-10-18-15(12-4-8-25-16(12)19-10)22-5-3-13-20-21-14(9-17-11(2)24)23(13)7-6-22/h4,8H,3,5-7,9H2,1-2H3,(H,17,24).
What are the key properties of N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide?
N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide has a molecular weight of 357.44 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-methylthieno[2,3-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide is sourced from PubChem (CID 56722046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).