3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C17H19N5O4S2 — CID 121398103

IUPAC3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)n(Cc2cnc(N)s2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C17H19N5O4S2/c1-17(5-6-17)20-28(25,26)11-3-4-13-12(7-11)14(23)22(16(24)21(13)2)9-10-8-19-15(18)27-10/h3-4,7-8,20H,5-6,9H2,1-2H3,(H2,18,19)
InChIKeyQOWNTSVLJLSLLR-UHFFFAOYSA-N
MW421.50 g/mol
LogP0.62
Rot. Bonds5

About 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398103) has the molecular formula C17H19N5O4S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398103
Molecular FormulaC17H19N5O4S2
Molecular Weight421.50 g/mol
Exact Mass421.09
IUPAC Name3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCn1c(=O)n(Cc2cnc(N)s2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21
InChIInChI=1S/C17H19N5O4S2/c1-17(5-6-17)20-28(25,26)11-3-4-13-12(7-11)14(23)22(16(24)21(13)2)9-10-8-19-15(18)27-10/h3-4,7-8,20H,5-6,9H2,1-2H3,(H2,18,19)
InChIKeyQOWNTSVLJLSLLR-UHFFFAOYSA-N
XLogP0.62
TPSA129.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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
5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-N-(1,3-thiazol-2-yl)benzamide
CID 8762613
2-(2-methylpropanoylamino)-~{N}-[2-[(phenylmethyl)-[4-(phenylsulfamoyl)phenyl]carbonyl-amino]ethyl]-1,3-thiazole-5-carboxamide
CID 162369728
N-(5-(4-acetamido-3-(1-acetylpiperazine-4-carbonyl)phenylthio)thiazol-2-yl)-4-(dimethylamino)benzamide
CID 20635501
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
CID 121398292
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

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398103) is 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cn1c(=O)n(Cc2cnc(N)s2)c(=O)c2cc(S(=O)(=O)NC3(C)CC3)ccc21.
What is the InChIKey of 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is QOWNTSVLJLSLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S2/c1-17(5-6-17)20-28(25,26)11-3-4-13-12(7-11)14(23)22(16(24)21(13)2)9-10-8-19-15(18)27-10/h3-4,7-8,20H,5-6,9H2,1-2H3,(H2,18,19).
What are the key properties of 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 421.50 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).