2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C18H18N6OS3 — CID 24557153

IUPAC2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nnc(SCc3nc(N)c4c(C)c(C)sc4n3)s2)c1
InChIInChI=1S/C18H18N6OS3/c1-9-10(2)27-16-14(9)15(19)21-13(22-16)8-26-18-24-23-17(28-18)20-11-5-4-6-12(7-11)25-3/h4-7H,8H2,1-3H3,(H,20,23)(H2,19,21,22)
InChIKeyPCZBRUPCNVHXJN-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.79
Rot. Bonds6

About 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 24557153) has the molecular formula C18H18N6OS3 and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID24557153
Molecular FormulaC18H18N6OS3
Molecular Weight430.58 g/mol
Exact Mass430.07
IUPAC Name2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(Nc2nnc(SCc3nc(N)c4c(C)c(C)sc4n3)s2)c1
InChIInChI=1S/C18H18N6OS3/c1-9-10(2)27-16-14(9)15(19)21-13(22-16)8-26-18-24-23-17(28-18)20-11-5-4-6-12(7-11)25-3/h4-7H,8H2,1-3H3,(H,20,23)(H2,19,21,22)
InChIKeyPCZBRUPCNVHXJN-UHFFFAOYSA-N
XLogP4.79
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1451575
5-[(4-aminoquinazolin-2-yl)methylsulfanyl]-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 27919031
1-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propan-2-one
CID 2559461
N-(3-methoxyphenyl)-2,5,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 4225944
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)ethanone
CID 7257922
2-N,2-N-dimethyl-6-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41479835
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 41433057
7-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 2559222
propan-2-yl 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 7274771
1-(4-tert-butylphenyl)-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7274753
5-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60541063
6,7-dimethoxy-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135530355

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 24557153) is 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1cccc(Nc2nnc(SCc3nc(N)c4c(C)c(C)sc4n3)s2)c1.
What is the InChIKey of 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is PCZBRUPCNVHXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS3/c1-9-10(2)27-16-14(9)15(19)21-13(22-16)8-26-18-24-23-17(28-18)20-11-5-4-6-12(7-11)25-3/h4-7H,8H2,1-3H3,(H,20,23)(H2,19,21,22).
What are the key properties of 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 430.58 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 24557153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).