5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

C20H18N6OS2 — CID 56584890

IUPAC5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(Sc3nc(-c4ccccn4)nc(C)c3C)s2)c1
InChIInChI=1S/C20H18N6OS2/c1-12-13(2)22-17(16-9-4-5-10-21-16)24-18(12)28-20-26-25-19(29-20)23-14-7-6-8-15(11-14)27-3/h4-11H,1-3H3,(H,23,25)
InChIKeyKOAAQLLBXPJCTN-UHFFFAOYSA-N
MW422.54 g/mol
LogP4.91
Rot. Bonds6

About 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine

5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 56584890) has the molecular formula C20H18N6OS2 and a molecular weight of 422.54 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID56584890
Molecular FormulaC20H18N6OS2
Molecular Weight422.54 g/mol
Exact Mass422.10
IUPAC Name5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1cccc(Nc2nnc(Sc3nc(-c4ccccn4)nc(C)c3C)s2)c1
InChIInChI=1S/C20H18N6OS2/c1-12-13(2)22-17(16-9-4-5-10-21-16)24-18(12)28-20-26-25-19(29-20)23-14-7-6-8-15(11-14)27-3/h4-11H,1-3H3,(H,23,25)
InChIKeyKOAAQLLBXPJCTN-UHFFFAOYSA-N
XLogP4.91
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.54
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

6-tert-butyl-N-(3-methoxyphenyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 70695604
4-(4-fluorophenyl)sulfanyl-5,6-dimethyl-2-pyridin-2-ylpyrimidine
CID 56584722
N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 17466081
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 7257922
5-(2-aminoethyl)-N-(3-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 94694003
1-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one
CID 2559461
N-(3-methoxyphenyl)-4-(4-methyl-1,3-oxazol-5-yl)-1,3-thiazol-2-amine
CID 167993102
5-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7489943
methyl 2-(3-methoxyanilino)-4-methyl-1,3-thiazole-5-carboxylate
CID 78916420
5-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60541063
3-chloro-5-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1,2-thiazole-4-carbonitrile
CID 133425500
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557153

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine (CID 56584890) is 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine is COc1cccc(Nc2nnc(Sc3nc(-c4ccccn4)nc(C)c3C)s2)c1.
What is the InChIKey of 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KOAAQLLBXPJCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6OS2/c1-12-13(2)22-17(16-9-4-5-10-21-16)24-18(12)28-20-26-25-19(29-20)23-14-7-6-8-15(11-14)27-3/h4-11H,1-3H3,(H,23,25).
What are the key properties of 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine?
5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 422.54 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)sulfanyl-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 56584890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).