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

C10H9N5S3 — CID 2407835

IUPAC5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1sc2ncnc(Sc3nnc(N)s3)c2c1C
InChIInChI=1S/C10H9N5S3/c1-4-5(2)16-7-6(4)8(13-3-12-7)17-10-15-14-9(11)18-10/h3H,1-2H3,(H2,11,14)
InChIKeyPNMKKKZTUGGEHY-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.89
Rot. Bonds2

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

5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2407835) has the molecular formula C10H9N5S3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2407835
Molecular FormulaC10H9N5S3
Molecular Weight295.42 g/mol
Exact Mass295.00
IUPAC Name5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1sc2ncnc(Sc3nnc(N)s3)c2c1C
InChIInChI=1S/C10H9N5S3/c1-4-5(2)16-7-6(4)8(13-3-12-7)17-10-15-14-9(11)18-10/h3H,1-2H3,(H2,11,14)
InChIKeyPNMKKKZTUGGEHY-UHFFFAOYSA-N
XLogP2.89
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 24525954
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
CID 54910806
4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2099930
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557845
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoate
CID 2384231
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-5-(2-methylfuran-3-yl)-1,3,4-oxadiazole
CID 9334410
(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)hydrazine
CID 719979
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N,N-dimethylacetamide
CID 78762835
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid
CID 39158939
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-(2-methylpropyl)acetamide
CID 1412618
1-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzoyl]piperidine-4-carboxamide
CID 35159611

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 2407835) is 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is Cc1sc2ncnc(Sc3nnc(N)s3)c2c1C.
What is the InChIKey of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PNMKKKZTUGGEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S3/c1-4-5(2)16-7-6(4)8(13-3-12-7)17-10-15-14-9(11)18-10/h3H,1-2H3,(H2,11,14).
What are the key properties of 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2407835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).