N-[[7-(7-methylthieno[3,2-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 56713983

IUPACN-[[7-(7-methylthieno[3,2-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(c1ncnc3c(C)csc13)CC2
InChIInChI=1S/C16H19N7OS/c1-10-8-25-15-14(10)18-9-19-16(15)22-4-3-12-20-21-13(7-17-11(2)24)23(12)6-5-22/h8-9H,3-7H2,1-2H3,(H,17,24)
InChIKeyXYMADWFFLJVJCS-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.29
Rot. Bonds3

About N-[[7-(7-methylthieno[3,2-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-(7-methylthieno[3,2-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 56713983) has the molecular formula C16H19N7OS and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[[7-(7-methylthieno[3,2-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-(7-methylthieno[3,2-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide
PubChem CID56713983
Molecular FormulaC16H19N7OS
Molecular Weight357.44 g/mol
Exact Mass357.14
IUPAC NameN-[[7-(7-methylthieno[3,2-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(c1ncnc3c(C)csc13)CC2
InChIInChI=1S/C16H19N7OS/c1-10-8-25-15-14(10)18-9-19-16(15)22-4-3-12-20-21-13(7-17-11(2)24)23(12)6-5-22/h8-9H,3-7H2,1-2H3,(H,17,24)
InChIKeyXYMADWFFLJVJCS-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-(7-methylthieno[3,2-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

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Related Compounds

1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-ol
CID 102687010
2-[4-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 102687009
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102685906
N,N-dimethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 171691257
2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]oxyacetic acid
CID 102685980
N-cyclopentyl-2-[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 171994481
[1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-yl]methanol
CID 102687035
4-ethyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 102685971
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-(7-methylthieno[3,2-d]pyrimidin-4-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665623
1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-ol
CID 102687027
N-[2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-7-methylthieno[3,2-d]pyrimidin-4-amine
CID 100639414
N-methyl-1-(7-methylthieno[3,2-d]pyrimidin-4-yl)azetidin-3-amine
CID 172894816

Frequently Asked Questions

What is the IUPAC name of N-[[7-(7-methylthieno[3,2-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-(7-methylthieno[3,2-d]pyrimidin-4-yl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]methyl]acetamide (CID 56713983) is N-[[7-(7-methylthieno[3,2-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-(7-methylthieno[3,2-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-(7-methylthieno[3,2-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(c1ncnc3c(C)csc13)CC2.
What is the InChIKey of N-[[7-(7-methylthieno[3,2-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 XYMADWFFLJVJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7OS/c1-10-8-25-15-14(10)18-9-19-16(15)22-4-3-12-20-21-13(7-17-11(2)24)23(12)6-5-22/h8-9H,3-7H2,1-2H3,(H,17,24).
What are the key properties of N-[[7-(7-methylthieno[3,2-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-(7-methylthieno[3,2-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-(7-methylthieno[3,2-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 56713983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).