5-propan-2-ylthiadiazolo[5,4-d]pyrimidine

C7H8N4S — CID 130231920

IUPAC5-propan-2-ylthiadiazolo[5,4-d]pyrimidine
SMILESCC(C)c1ncc2nnsc2n1
InChIInChI=1S/C7H8N4S/c1-4(2)6-8-3-5-7(9-6)12-11-10-5/h3-4H,1-2H3
InChIKeyNGCVIVUSPITBNZ-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.60
Rot. Bonds1

About 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine

5-propan-2-ylthiadiazolo[5,4-d]pyrimidine (PubChem CID 130231920) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name5-propan-2-ylthiadiazolo[5,4-d]pyrimidine
PubChem CID130231920
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name5-propan-2-ylthiadiazolo[5,4-d]pyrimidine
SMILESCC(C)c1ncc2nnsc2n1
InChIInChI=1S/C7H8N4S/c1-4(2)6-8-3-5-7(9-6)12-11-10-5/h3-4H,1-2H3
InChIKeyNGCVIVUSPITBNZ-UHFFFAOYSA-N
XLogP1.60
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Thiazolo[5,4-d]pyrimidine, 2-methyl-
CID 591957
[1,2,3]Thiadiazolo[5,4-d]pyrimidine
CID 45080540
Imidazothiadiazine
CID 67373119
Thiazolo[5,4-d]pyrimidine, 5-methyl-
CID 592016
Thiadiazolopyrimidinecarbonitrile
CID 171378023
N-butylthiadiazolo[5,4-d]pyrimidin-7-amine
CID 322165
2,5-Ditert-butyl-[1,3]thiazolo[5,4-d]pyrimidine
CID 57975977
5-Methyl-[1,3]thiazolo[5,4-d]pyrimidin-2-amine
CID 58015372
2-tert-butyl-N,N-dimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 58088273
2-Propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
CID 58470040
5-Propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidine
CID 59589158
N,N,2-trimethyl-[1,3]thiazolo[5,4-d]pyrimidin-5-amine
CID 59845966

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine?
The IUPAC name of 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine (CID 130231920) is 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine?
The canonical SMILES for 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine is CC(C)c1ncc2nnsc2n1.
What is the InChIKey of 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine?
The InChIKey is NGCVIVUSPITBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-4(2)6-8-3-5-7(9-6)12-11-10-5/h3-4H,1-2H3.
What are the key properties of 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine?
5-propan-2-ylthiadiazolo[5,4-d]pyrimidine has a molecular weight of 180.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-ylthiadiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 130231920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).