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

C14H17N5S3 — CID 24525954

IUPACN-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1sc2ncnc(Sc3nnc(NC(C)(C)C)s3)c2c1C
InChIInChI=1S/C14H17N5S3/c1-7-8(2)20-10-9(7)11(16-6-15-10)21-13-19-18-12(22-13)17-14(3,4)5/h6H,1-5H3,(H,17,18)
InChIKeyJFVAHYXIIYZODN-UHFFFAOYSA-N
MW351.53 g/mol
LogP4.52
Rot. Bonds3

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

N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 24525954) has the molecular formula C14H17N5S3 and a molecular weight of 351.53 g/mol. Its IUPAC name is N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID24525954
Molecular FormulaC14H17N5S3
Molecular Weight351.53 g/mol
Exact Mass351.06
IUPAC NameN-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCc1sc2ncnc(Sc3nnc(NC(C)(C)C)s3)c2c1C
InChIInChI=1S/C14H17N5S3/c1-7-8(2)20-10-9(7)11(16-6-15-10)21-13-19-18-12(22-13)17-14(3,4)5/h6H,1-5H3,(H,17,18)
InChIKeyJFVAHYXIIYZODN-UHFFFAOYSA-N
XLogP4.52
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 2407835
N-tert-butyl-5-thieno[3,2-d]pyrimidin-4-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 24561502
N-tert-butyl-5-pyrimidin-2-ylsulfanyl-1,3,4-thiadiazol-2-amine
CID 18142364
4-(difluoromethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 2099930
4-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylphenol
CID 54910806
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanol
CID 43384938
ethyl 4-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 24508275
5,6-dimethyl-N-(3-methylpentan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 114174333
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
N-cyclopropyl-5-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 55377974
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 24525954) is N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is Cc1sc2ncnc(Sc3nnc(NC(C)(C)C)s3)c2c1C.
What is the InChIKey of N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is JFVAHYXIIYZODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5S3/c1-7-8(2)20-10-9(7)11(16-6-15-10)21-13-19-18-12(22-13)17-14(3,4)5/h6H,1-5H3,(H,17,18).
What are the key properties of N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 351.53 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 24525954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).