N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide

C18H18N6O3S2 — CID 59262622

IUPACN,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2
InChIInChI=1S/C18H18N6O3S2/c1-24(2)17(25)16-22-13-7-6-10-9-20-18(23-14(10)15(13)28-16)21-11-4-3-5-12(8-11)29(19,26)27/h3-5,8-9H,6-7H2,1-2H3,(H2,19,26,27)(H,20,21,23)
InChIKeyRJTUSOOHLYTKQP-UHFFFAOYSA-N
MW430.52 g/mol
LogP1.79
Rot. Bonds4

About N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide

N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide (PubChem CID 59262622) has the molecular formula C18H18N6O3S2 and a molecular weight of 430.52 g/mol. Its IUPAC name is N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide
PubChem CID59262622
Molecular FormulaC18H18N6O3S2
Molecular Weight430.52 g/mol
Exact Mass430.09
IUPAC NameN,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide
SMILESCN(C)C(=O)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2
InChIInChI=1S/C18H18N6O3S2/c1-24(2)17(25)16-22-13-7-6-10-9-20-18(23-14(10)15(13)28-16)21-11-4-3-5-12(8-11)29(19,26)27/h3-5,8-9H,6-7H2,1-2H3,(H2,19,26,27)(H,20,21,23)
InChIKeyRJTUSOOHLYTKQP-UHFFFAOYSA-N
XLogP1.79
TPSA131.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide?
The IUPAC name of N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide (CID 59262622) is N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide?
The canonical SMILES for N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide is CN(C)C(=O)c1nc2c(s1)-c1nc(Nc3cccc(S(N)(=O)=O)c3)ncc1CC2.
What is the InChIKey of N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide?
The InChIKey is RJTUSOOHLYTKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3S2/c1-24(2)17(25)16-22-13-7-6-10-9-20-18(23-14(10)15(13)28-16)21-11-4-3-5-12(8-11)29(19,26)27/h3-5,8-9H,6-7H2,1-2H3,(H2,19,26,27)(H,20,21,23).
What are the key properties of N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide?
N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazoline-2-carboxamide is sourced from PubChem (CID 59262622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).