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

C19H22N4O4S2 — CID 121398751

IUPAC1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nc(C)c(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3
InChIKeyNMGNSNUSOVFCDS-UHFFFAOYSA-N
MW434.54 g/mol
LogP1.65
Rot. Bonds5

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

1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398751) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398751
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nc(C)c(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1
InChIInChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3
InChIKeyNMGNSNUSOVFCDS-UHFFFAOYSA-N
XLogP1.65
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

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
1-ethyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398291
N-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
CID 121398292
1-methyl-N-(1-methylcyclopropyl)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398391
3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398529
CID 134169694
CID 134169694
1-methyl-N-(1-methylcyclopropyl)-3-[(4-methylthiadiazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134169705
3-{[(1,3-Dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6-quinazolinyl)sulfonyl]amino}-N~1~-(4-methyl-1,3-thiazol-2-YL)propanamide
CID 3244361

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398751) is 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is Cc1nc(C)c(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)s1.
What is the InChIKey of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is NMGNSNUSOVFCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-11-16(28-12(2)20-11)10-23-15-6-5-13(29(26,27)21-19(3)7-8-19)9-14(15)17(24)22(4)18(23)25/h5-6,9,21H,7-8,10H2,1-4H3.
What are the key properties of 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 434.54 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).