1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

C17H19N5O4S2 — CID 134169705

IUPAC1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nnsc1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C17H19N5O4S2/c1-10-14(27-20-18-10)9-22-15(23)12-8-11(4-5-13(12)21(3)16(22)24)28(25,26)19-17(2)6-7-17/h4-5,8,19H,6-7,9H2,1-3H3
InChIKeyYAQFWXPTKPAQOO-UHFFFAOYSA-N
MW421.50 g/mol
LogP0.74
Rot. Bonds5

About 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 134169705) has the molecular formula C17H19N5O4S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID134169705
Molecular FormulaC17H19N5O4S2
Molecular Weight421.50 g/mol
Exact Mass421.09
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nnsc1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O
InChIInChI=1S/C17H19N5O4S2/c1-10-14(27-20-18-10)9-22-15(23)12-8-11(4-5-13(12)21(3)16(22)24)28(25,26)19-17(2)6-7-17/h4-5,8,19H,6-7,9H2,1-3H3
InChIKeyYAQFWXPTKPAQOO-UHFFFAOYSA-N
XLogP0.74
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide with MolForge

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Related Compounds

1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
CID 134169687
1-benzyl-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398822
1-(cyclopropylmethyl)-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398178
1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398202
1-ethyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398291
N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398347
3-(cyanomethyl)-1-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398362
1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398376
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398391
3-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398427
3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
CID 121398470
1-(cyclopropylmethyl)-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398509

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (CID 134169705) is 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is Cc1nnsc1Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(C)c1=O.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is YAQFWXPTKPAQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S2/c1-10-14(27-20-18-10)9-22-15(23)12-8-11(4-5-13(12)21(3)16(22)24)28(25,26)19-17(2)6-7-17/h4-5,8,19H,6-7,9H2,1-3H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 421.50 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 134169705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).