5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C14H11N5OS2 — CID 133294077

IUPAC5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ncnc3c2oc2ccccc23)s1
InChIInChI=1S/C14H11N5OS2/c1-19(2)13-17-18-14(22-13)21-12-11-10(15-7-16-12)8-5-3-4-6-9(8)20-11/h3-7H,1-2H3
InChIKeyMHOHKZKAKSHWRC-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.44
Rot. Bonds3

About 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 133294077) has the molecular formula C14H11N5OS2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID133294077
Molecular FormulaC14H11N5OS2
Molecular Weight329.41 g/mol
Exact Mass329.04
IUPAC Name5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(Sc2ncnc3c2oc2ccccc23)s1
InChIInChI=1S/C14H11N5OS2/c1-19(2)13-17-18-14(22-13)21-12-11-10(15-7-16-12)8-5-3-4-6-9(8)20-11/h3-7H,1-2H3
InChIKeyMHOHKZKAKSHWRC-UHFFFAOYSA-N
XLogP3.44
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine with MolForge

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Related Compounds

4-(4-methylphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2877182
4-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-[1]benzofuro[3,2-d]pyrimidine
CID 24656795
4-(4-methoxyphenyl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39742965
4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 2458258
4-benzylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 3131853
2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N-methyl-N-propan-2-ylacetamide
CID 8665174
N,N-dimethyl-5-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]sulfanyl-1,3,4-thiadiazol-2-amine
CID 80882839
ethyl 2-[2-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-1,3-thiazol-4-yl]acetate
CID 34039953
4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 156867518
5-[6-(ethylamino)-5-methylpyrimidin-4-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80882929
4-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-[1]benzofuro[3,2-d]pyrimidine
CID 39772968
5-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80930893

Frequently Asked Questions

What is the IUPAC name of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 133294077) is 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(Sc2ncnc3c2oc2ccccc23)s1.
What is the InChIKey of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MHOHKZKAKSHWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5OS2/c1-19(2)13-17-18-14(22-13)21-12-11-10(15-7-16-12)8-5-3-4-6-9(8)20-11/h3-7H,1-2H3.
What are the key properties of 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 329.41 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-([1]benzofuro[3,2-d]pyrimidin-4-ylsulfanyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133294077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).