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

C20H20N4O4S2 — CID 121398292

IUPACN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
SMILESC#CCn1c(=O)n(Cc2cnc(C)s2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C20H20N4O4S2/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)10-16(17)18(25)24(19(23)26)12-14-11-21-13(2)29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3
InChIKeyZTRGGZMUZCZXTL-UHFFFAOYSA-N
MW444.54 g/mol
LogP1.44
Rot. Bonds6

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

N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide (PubChem CID 121398292) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
PubChem CID121398292
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC NameN-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
SMILESC#CCn1c(=O)n(Cc2cnc(C)s2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C20H20N4O4S2/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)10-16(17)18(25)24(19(23)26)12-14-11-21-13(2)29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3
InChIKeyZTRGGZMUZCZXTL-UHFFFAOYSA-N
XLogP1.44
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(dimethylsulfamoyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-(pyrrolidin-1-yl)benzamide
CID 2519269
1-(cyclopropylmethyl)-N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398248
Pdd00017273 (4)
CID 121398766
1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide
CID 134169687
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134169696
3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398103
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398529
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398751
CID 134169694
CID 134169694
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,2-thiazol-5-ylmethyl)quinazoline-6-sulfonamide
CID 121398163
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(1,3-thiazol-5-ylmethyl)quinazoline-6-sulfonamide
CID 121398298
1-methyl-N-(1-methylcyclopropyl)-2,4-dioxo-3-(pyridin-3-ylmethyl)quinazoline-6-sulfonamide
CID 121398451

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide?
The IUPAC name of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide (CID 121398292) is N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide.
What is the SMILES notation for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide?
The canonical SMILES for N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide is C#CCn1c(=O)n(Cc2cnc(C)s2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide?
The InChIKey is ZTRGGZMUZCZXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-4-9-23-17-6-5-15(30(27,28)22-20(3)7-8-20)10-16(17)18(25)24(19(23)26)12-14-11-21-13(2)29-14/h1,5-6,10-11,22H,7-9,12H2,2-3H3.
What are the key properties of N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide?
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide has a molecular weight of 444.54 g/mol, XLogP of 1.44, 6 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-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide is sourced from PubChem (CID 121398292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).