3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C17H19N5O5S2 — CID 3244361

IUPAC3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C17H19N5O5S2/c1-10-9-28-16(19-10)20-14(23)6-7-18-29(26,27)11-4-5-13-12(8-11)15(24)22(3)17(25)21(13)2/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20,23)
InChIKeyKYHLDBMCKOJLHK-UHFFFAOYSA-N
MW437.50 g/mol
LogP0.31
Rot. Bonds6

About 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 3244361) has the molecular formula C17H19N5O5S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID3244361
Molecular FormulaC17H19N5O5S2
Molecular Weight437.50 g/mol
Exact Mass437.08
IUPAC Name3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C17H19N5O5S2/c1-10-9-28-16(19-10)20-14(23)6-7-18-29(26,27)11-4-5-13-12(8-11)15(24)22(3)17(25)21(13)2/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20,23)
InChIKeyKYHLDBMCKOJLHK-UHFFFAOYSA-N
XLogP0.31
TPSA132.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 3244361) is 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)n1.
What is the InChIKey of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is KYHLDBMCKOJLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O5S2/c1-10-9-28-16(19-10)20-14(23)6-7-18-29(26,27)11-4-5-13-12(8-11)15(24)22(3)17(25)21(13)2/h4-5,8-9,18H,6-7H2,1-3H3,(H,19,20,23).
What are the key properties of 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 437.50 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 3244361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).