N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

C17H18N4O4S2 — CID 121398394

IUPACN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCc1ncc(Cn2c(=O)[nH]c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)s1
InChIInChI=1S/C17H18N4O4S2/c1-10-18-8-11(26-10)9-21-15(22)13-7-12(3-4-14(13)19-16(21)23)27(24,25)20-17(2)5-6-17/h3-4,7-8,20H,5-6,9H2,1-2H3,(H,19,23)
InChIKeyRSZGBMJYZAEHDZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.33
Rot. Bonds5

About N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide

N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (PubChem CID 121398394) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
PubChem CID121398394
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
SMILESCc1ncc(Cn2c(=O)[nH]c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)s1
InChIInChI=1S/C17H18N4O4S2/c1-10-18-8-11(26-10)9-21-15(22)13-7-12(3-4-14(13)19-16(21)23)27(24,25)20-17(2)5-6-17/h3-4,7-8,20H,5-6,9H2,1-2H3,(H,19,23)
InChIKeyRSZGBMJYZAEHDZ-UHFFFAOYSA-N
XLogP1.33
TPSA113.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398336
tert-butyl N-[5-[[6-[(1-methylcyclopropyl)sulfamoyl]-2,4-dioxo-1H-quinazolin-3-yl]methyl]-1,2-oxazol-3-yl]carbamate
CID 121398754
(1-methylcyclopropyl)carbamoyl 3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-thieno[2,3-d]pyrimidine-6-sulfonate
CID 175472582
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide
CID 121398695
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-(oxolan-2-ylmethyl)thieno[2,3-d]pyrimidine-6-sulfonamide
CID 167135800
N-(1-methylcyclopropyl)-1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 164550024
methyl (E)-5-[6-[(3-methyloxetan-3-yl)sulfamoyl]-2,4-dioxo-1H-quinazolin-3-yl]pent-2-enoate
CID 169032066
1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxothieno[2,3-d]pyrimidine-6-sulfonamide
CID 167135956
N-(3-cyanooxetan-3-yl)-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 169032019
3-amino-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 169187257
N-(1-methylcyclopropyl)-3-(5-methyl-1,3,4-oxadiazolidin-2-yl)-2-oxo-1H-benzimidazole-5-sulfonamide
CID 135215641
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398173

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide (CID 121398394) is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is Cc1ncc(Cn2c(=O)[nH]c3ccc(S(=O)(=O)NC4(C)CC4)cc3c2=O)s1.
What is the InChIKey of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
The InChIKey is RSZGBMJYZAEHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-10-18-8-11(26-10)9-21-15(22)13-7-12(3-4-14(13)19-16(21)23)27(24,25)20-17(2)5-6-17/h3-4,7-8,20H,5-6,9H2,1-2H3,(H,19,23).
What are the key properties of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide?
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide has a molecular weight of 406.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide is sourced from PubChem (CID 121398394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).