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

C17H18N4O4S2 — CID 121398179

IUPAC3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(Cc2cscn2)c1=O
InChIInChI=1S/C17H18N4O4S2/c1-17(5-6-17)19-27(24,25)12-3-4-14-13(7-12)15(22)20(2)16(23)21(14)8-11-9-26-10-18-11/h3-4,7,9-10,19H,5-6,8H2,1-2H3
InChIKeyBCGZGOXDUHLZKQ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.04
Rot. Bonds5

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

3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide (PubChem CID 121398179) has the molecular formula C17H18N4O4S2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide
PubChem CID121398179
Molecular FormulaC17H18N4O4S2
Molecular Weight406.49 g/mol
Exact Mass406.08
IUPAC Name3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(Cc2cscn2)c1=O
InChIInChI=1S/C17H18N4O4S2/c1-17(5-6-17)19-27(24,25)12-3-4-14-13(7-12)15(22)20(2)16(23)21(14)8-11-9-26-10-18-11/h3-4,7,9-10,19H,5-6,8H2,1-2H3
InChIKeyBCGZGOXDUHLZKQ-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 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide?
The IUPAC name of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide (CID 121398179) is 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide.
What is the SMILES notation for 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide?
The canonical SMILES for 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide is Cn1c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc2n(Cc2cscn2)c1=O.
What is the InChIKey of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide?
The InChIKey is BCGZGOXDUHLZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-17(5-6-17)19-27(24,25)12-3-4-14-13(7-12)15(22)20(2)16(23)21(14)8-11-9-26-10-18-11/h3-4,7,9-10,19H,5-6,8H2,1-2H3.
What are the key properties of 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide?
3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-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 3-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-1-(1,3-thiazol-4-ylmethyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 121398179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).