6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one

C14H15N5O3S2 — CID 135718128

IUPAC6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
SMILESCNc1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)s1
InChIInChI=1S/C14H15N5O3S2/c1-15-13-18-19-14(24-13)23-6-11-16-8-5-10(22-3)9(21-2)4-7(8)12(20)17-11/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17,20)
InChIKeyUNVMENQUDGIIFJ-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.13
Rot. Bonds6

About 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one

6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one (PubChem CID 135718128) has the molecular formula C14H15N5O3S2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
PubChem CID135718128
Molecular FormulaC14H15N5O3S2
Molecular Weight365.44 g/mol
Exact Mass365.06
IUPAC Name6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
SMILESCNc1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)s1
InChIInChI=1S/C14H15N5O3S2/c1-15-13-18-19-14(24-13)23-6-11-16-8-5-10(22-3)9(21-2)4-7(8)12(20)17-11/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17,20)
InChIKeyUNVMENQUDGIIFJ-UHFFFAOYSA-N
XLogP2.13
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one with MolForge

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Related Compounds

6,7-dimethoxy-2-[[5-(3-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135530355
6,7-dimethoxy-2-[(4-methyl-1,3-benzothiazol-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 175331282
2-[(6-chloro-[1,3]thiazolo[4,5-b]pyridin-2-yl)sulfanylmethyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 175331280
methyl 2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135780426
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135746075
methyl 2-[[5-(4-ethylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135408010
6,7-dimethoxy-2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-1-ylsulfanylmethyl)-3H-quinazolin-4-one
CID 135892282
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-chloro-3H-quinazolin-4-one
CID 135568722
6,7-dimethoxy-2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135893419
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135585229
(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl N'-(2-methoxyethyl)carbamimidothioate
CID 135729722
2-[[5-[[(2R)-butan-2-yl]amino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 136768021

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one (CID 135718128) is 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one is CNc1nnc(SCc2nc3cc(OC)c(OC)cc3c(=O)[nH]2)s1.
What is the InChIKey of 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one?
The InChIKey is UNVMENQUDGIIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3S2/c1-15-13-18-19-14(24-13)23-6-11-16-8-5-10(22-3)9(21-2)4-7(8)12(20)17-11/h4-5H,6H2,1-3H3,(H,15,18)(H,16,17,20).
What are the key properties of 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one has a molecular weight of 365.44 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135718128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).