2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide

C13H19N7OS — CID 162627703

IUPAC2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide
SMILESCc1cnc(Nc2nnc(CC(=O)N(C)C)s2)nc1N(C)C
InChIInChI=1S/C13H19N7OS/c1-8-7-14-12(15-11(8)20(4)5)16-13-18-17-9(22-13)6-10(21)19(2)3/h7H,6H2,1-5H3,(H,14,15,16,18)
InChIKeyYPIRIBHJTCOYIM-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.08
Rot. Bonds5

About 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide

2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide (PubChem CID 162627703) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide
PubChem CID162627703
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC Name2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide
SMILESCc1cnc(Nc2nnc(CC(=O)N(C)C)s2)nc1N(C)C
InChIInChI=1S/C13H19N7OS/c1-8-7-14-12(15-11(8)20(4)5)16-13-18-17-9(22-13)6-10(21)19(2)3/h7H,6H2,1-5H3,(H,14,15,16,18)
InChIKeyYPIRIBHJTCOYIM-UHFFFAOYSA-N
XLogP1.08
TPSA87.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide 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-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide (CID 162627703) is 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide is Cc1cnc(Nc2nnc(CC(=O)N(C)C)s2)nc1N(C)C.
What is the InChIKey of 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide?
The InChIKey is YPIRIBHJTCOYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-8-7-14-12(15-11(8)20(4)5)16-13-18-17-9(22-13)6-10(21)19(2)3/h7H,6H2,1-5H3,(H,14,15,16,18).
What are the key properties of 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide?
2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide has a molecular weight of 321.41 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-(dimethylamino)-5-methylpyrimidin-2-yl]amino]-1,3,4-thiadiazol-2-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 162627703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).