N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

C18H19FN4O4S2 — CID 141491434

IUPACN-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(C)c2=O)cs1
InChIInChI=1S/C18H19FN4O4S2/c1-11-20-12(9-28-11)8-23-16(24)14-7-13(3-4-15(14)22(2)17(23)25)29(26,27)21-18(10-19)5-6-18/h3-4,7,9,21H,5-6,8,10H2,1-2H3
InChIKeyVCNALCKVHVUUET-UHFFFAOYSA-N
MW438.51 g/mol
LogP1.29
Rot. Bonds6

About N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide

N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 141491434) has the molecular formula C18H19FN4O4S2 and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID141491434
Molecular FormulaC18H19FN4O4S2
Molecular Weight438.51 g/mol
Exact Mass438.08
IUPAC NameN-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
SMILESCc1nc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(C)c2=O)cs1
InChIInChI=1S/C18H19FN4O4S2/c1-11-20-12(9-28-11)8-23-16(24)14-7-13(3-4-15(14)22(2)17(23)25)29(26,27)21-18(10-19)5-6-18/h3-4,7,9,21H,5-6,8,10H2,1-2H3
InChIKeyVCNALCKVHVUUET-UHFFFAOYSA-N
XLogP1.29
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide (CID 141491434) is N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is Cc1nc(Cn2c(=O)c3cc(S(=O)(=O)NC4(CF)CC4)ccc3n(C)c2=O)cs1.
What is the InChIKey of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is VCNALCKVHVUUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O4S2/c1-11-20-12(9-28-11)8-23-16(24)14-7-13(3-4-15(14)22(2)17(23)25)29(26,27)21-18(10-19)5-6-18/h3-4,7,9,21H,5-6,8,10H2,1-2H3.
What are the key properties of N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide?
N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 438.51 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 141491434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).