1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide

C17H18N4O4S2 — CID 121398163

IUPAC1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)n(Cc2ccns2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C17H18N4O4S2/c1-17(6-7-17)19-27(24,25)12-3-4-14-13(9-12)15(22)21(16(23)20(14)2)10-11-5-8-18-26-11/h3-5,8-9,19H,6-7,10H2,1-2H3
InChIKeyYXTVOHYBZCELEV-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.04
Rot. Bonds5

About 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide (PubChem CID 121398163) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide
PubChem CID121398163
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)n(Cc2ccns2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C17H18N4O4S2/c1-17(6-7-17)19-27(24,25)12-3-4-14-13(9-12)15(22)21(16(23)20(14)2)10-11-5-8-18-26-11/h3-5,8-9,19H,6-7,10H2,1-2H3
InChIKeyYXTVOHYBZCELEV-UHFFFAOYSA-N
XLogP1.04
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide (CID 121398163) is 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide is Cn1c(=O)n(Cc2ccns2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide?
The InChIKey is YXTVOHYBZCELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-17(6-7-17)19-27(24,25)12-3-4-14-13(9-12)15(22)21(16(23)20(14)2)10-11-5-8-18-26-11/h3-5,8-9,19H,6-7,10H2,1-2H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide has a molecular weight of 406.49 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 121398163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).