N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

C11H13N7OS2 — CID 18142185

IUPACN-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2cc(C)nc3ncnn23)s1
InChIInChI=1S/C11H13N7OS2/c1-7-5-8(18-9(15-7)13-6-14-18)20-11-17-16-10(21-11)12-3-4-19-2/h5-6H,3-4H2,1-2H3,(H,12,16)
InChIKeyIOAYQCQYTQZCHO-UHFFFAOYSA-N
MW323.41 g/mol
LogP1.49
Rot. Bonds6

About N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine

N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 18142185) has the molecular formula C11H13N7OS2 and a molecular weight of 323.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID18142185
Molecular FormulaC11H13N7OS2
Molecular Weight323.41 g/mol
Exact Mass323.06
IUPAC NameN-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCOCCNc1nnc(Sc2cc(C)nc3ncnn23)s1
InChIInChI=1S/C11H13N7OS2/c1-7-5-8(18-9(15-7)13-6-14-18)20-11-17-16-10(21-11)12-3-4-19-2/h5-6H,3-4H2,1-2H3,(H,12,16)
InChIKeyIOAYQCQYTQZCHO-UHFFFAOYSA-N
XLogP1.49
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 18142369
5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
CID 94673326
N-(2-methoxyethyl)-5-(6-methylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133407778
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3-benzothiazol-6-amine
CID 61370417
7-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 9461574
7-(2,4-dimethylphenyl)sulfanyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18191294
2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(2,4,5-trimethylphenyl)ethanone
CID 4819732
1-(3,4-dimethoxyphenyl)-2-[[5-(2-methoxyethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7965296
4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
CID 114163264
N-(2-methoxyethyl)-5-(4-methyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 133413670
N-(2-methoxyethyl)-5-(tetrazolo[1,5-b]pyridazin-6-ylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 16582461
5-benzylsulfanyl-N-(2-methoxyethyl)-1,3,4-thiadiazol-2-amine
CID 4819058

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine (CID 18142185) is N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is COCCNc1nnc(Sc2cc(C)nc3ncnn23)s1.
What is the InChIKey of N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is IOAYQCQYTQZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7OS2/c1-7-5-8(18-9(15-7)13-6-14-18)20-11-17-16-10(21-11)12-3-4-19-2/h5-6H,3-4H2,1-2H3,(H,12,16).
What are the key properties of N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine?
N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 323.41 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 18142185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).