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

C17H18N4O4S2 — CID 121398695

IUPACN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide
SMILESCc1ncc(Cn2c(=O)c3ccccc3n(S(=O)(=O)NC3(C)CC3)c2=O)s1
InChIInChI=1S/C17H18N4O4S2/c1-11-18-9-12(26-11)10-20-15(22)13-5-3-4-6-14(13)21(16(20)23)27(24,25)19-17(2)7-8-17/h3-6,9,19H,7-8,10H2,1-2H3
InChIKeyGKXZOJGRKRZETC-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.21
Rot. Bonds5

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

N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide (PubChem CID 121398695) 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-dioxoquinazoline-1-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide
PubChem CID121398695
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-dioxoquinazoline-1-sulfonamide
SMILESCc1ncc(Cn2c(=O)c3ccccc3n(S(=O)(=O)NC3(C)CC3)c2=O)s1
InChIInChI=1S/C17H18N4O4S2/c1-11-18-9-12(26-11)10-20-15(22)13-5-3-4-6-14(13)21(16(20)23)27(24,25)19-17(2)7-8-17/h3-6,9,19H,7-8,10H2,1-2H3
InChIKeyGKXZOJGRKRZETC-UHFFFAOYSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide (CID 121398695) is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide is Cc1ncc(Cn2c(=O)c3ccccc3n(S(=O)(=O)NC3(C)CC3)c2=O)s1.
What is the InChIKey of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide?
The InChIKey is GKXZOJGRKRZETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4S2/c1-11-18-9-12(26-11)10-20-15(22)13-5-3-4-6-14(13)21(16(20)23)27(24,25)19-17(2)7-8-17/h3-6,9,19H,7-8,10H2,1-2H3.
What are the key properties of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide?
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-1-sulfonamide has a molecular weight of 406.49 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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-dioxoquinazoline-1-sulfonamide is sourced from PubChem (CID 121398695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).