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

C19H19F3N4O4S2 — CID 134169700

IUPAC1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nc(C(F)(F)F)c(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)s1
InChIInChI=1S/C19H19F3N4O4S2/c1-10-23-15(19(20,21)22)14(31-10)9-26-16(27)12-8-11(4-5-13(12)25(3)17(26)28)32(29,30)24-18(2)6-7-18/h4-5,8,24H,6-7,9H2,1-3H3
InChIKeyZQQPJZMLSJOPKS-UHFFFAOYSA-N
MW488.51 g/mol
LogP2.36
Rot. Bonds5

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

1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 134169700) has the molecular formula C19H19F3N4O4S2 and a molecular weight of 488.51 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID134169700
Molecular FormulaC19H19F3N4O4S2
Molecular Weight488.51 g/mol
Exact Mass488.08
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nc(C(F)(F)F)c(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)s1
InChIInChI=1S/C19H19F3N4O4S2/c1-10-23-15(19(20,21)22)14(31-10)9-26-16(27)12-8-11(4-5-13(12)25(3)17(26)28)32(29,30)24-18(2)6-7-18/h4-5,8,24H,6-7,9H2,1-3H3
InChIKeyZQQPJZMLSJOPKS-UHFFFAOYSA-N
XLogP2.36
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide (CID 134169700) is 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide is Cc1nc(C(F)(F)F)c(Cn2c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)s1.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is ZQQPJZMLSJOPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O4S2/c1-10-23-15(19(20,21)22)14(31-10)9-26-16(27)12-8-11(4-5-13(12)25(3)17(26)28)32(29,30)24-18(2)6-7-18/h4-5,8,24H,6-7,9H2,1-3H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 488.51 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-3-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 134169700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).