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

C20H20N6O2S — CID 59262940

IUPAC8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1
InChIInChI=1S/C20H20N6O2S/c1-11(27)22-13-5-4-6-14(9-13)23-20-21-10-12-7-8-15-17(16(12)25-20)24-18(29-15)19(28)26(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,22,27)(H,21,23,25)
InChIKeyVVOCUZSPPQCORR-UHFFFAOYSA-N
MW408.49 g/mol
LogP3.10
Rot. Bonds4

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

8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide (PubChem CID 59262940) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide.

Molecular Properties

Compound Name8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
PubChem CID59262940
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1
InChIInChI=1S/C20H20N6O2S/c1-11(27)22-13-5-4-6-14(9-13)23-20-21-10-12-7-8-15-17(16(12)25-20)24-18(29-15)19(28)26(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,22,27)(H,21,23,25)
InChIKeyVVOCUZSPPQCORR-UHFFFAOYSA-N
XLogP3.10
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
The IUPAC name of 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide (CID 59262940) is 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide.
What is the SMILES notation for 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
The canonical SMILES for 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide is CC(=O)Nc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1.
What is the InChIKey of 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
The InChIKey is VVOCUZSPPQCORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-11(27)22-13-5-4-6-14(9-13)23-20-21-10-12-7-8-15-17(16(12)25-20)24-18(29-15)19(28)26(2)3/h4-6,9-10H,7-8H2,1-3H3,(H,22,27)(H,21,23,25).
What are the key properties of 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide has a molecular weight of 408.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide is sourced from PubChem (CID 59262940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).