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

C21H21N5O2S — CID 158478356

IUPACN,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
SMILESCC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1
InChIInChI=1S/C21H21N5O2S/c1-12(27)9-13-5-4-6-15(10-13)23-21-22-11-14-7-8-16-18(17(14)25-21)24-19(29-16)20(28)26(2)3/h4-6,10-11H,7-9H2,1-3H3,(H,22,23,25)
InChIKeyZUWZWGHHMLBYGL-UHFFFAOYSA-N
MW407.50 g/mol
LogP3.28
Rot. Bonds5

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

N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide (PubChem CID 158478356) has the molecular formula C21H21N5O2S and a molecular weight of 407.50 g/mol. Its IUPAC name is N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
PubChem CID158478356
Molecular FormulaC21H21N5O2S
Molecular Weight407.50 g/mol
Exact Mass407.14
IUPAC NameN,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
SMILESCC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1
InChIInChI=1S/C21H21N5O2S/c1-12(27)9-13-5-4-6-15(10-13)23-21-22-11-14-7-8-16-18(17(14)25-21)24-19(29-16)20(28)26(2)3/h4-6,10-11H,7-9H2,1-3H3,(H,22,23,25)
InChIKeyZUWZWGHHMLBYGL-UHFFFAOYSA-N
XLogP3.28
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-(3-acetamidoanilino)-N,N-dimethyl-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
CID 59262940
N,N-dimethyl-8-(3-sulfamoylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide
CID 59262738
1-[3-[[2-[(4-acetylpiperazin-1-yl)methyl]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]phenyl]propan-2-one
CID 159366525
1-[3-[[2-(piperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]propan-2-one
CID 158190859
3-[[2-(4-acetylpiperazine-1-carbonyl)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-8-yl]amino]benzenesulfonamide
CID 59262892
1-[3-[[4-(piperazin-1-ylmethyl)-8-oxa-5-thia-11,13-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,9,11-pentaen-12-yl]amino]phenyl]propan-2-one
CID 161014612
8-(3-methoxyphenyl)-N-[3-(methylsulfonylmethyl)phenyl]-5,6-dihydrothieno[2,3-h]quinazolin-2-amine
CID 148788828
ethyl 8-[3-(hydroxymethyl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxylate
CID 68939279
piperazin-1-yl-[8-(3-sulfanylanilino)-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazolin-2-yl]methanol
CID 143037354
1-[3-[[8-(piperazine-1-carbonyl)thieno[2,3-h]quinazolin-2-yl]amino]phenyl]propan-2-one
CID 160610269
1-[3-[5-methyl-2-[4-[(4-methylpiperazin-1-yl)methyl]anilino]pyrimidin-4-yl]phenyl]propan-2-one
CID 147564739
1-[3-[[2-(1-methoxypropan-2-ylamino)-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-8-yl]amino]phenyl]ethanone
CID 87365733

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
The IUPAC name of N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide (CID 158478356) is N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
The canonical SMILES for N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide is CC(=O)Cc1cccc(Nc2ncc3c(n2)-c2nc(C(=O)N(C)C)sc2CC3)c1.
What is the InChIKey of N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
The InChIKey is ZUWZWGHHMLBYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2S/c1-12(27)9-13-5-4-6-15(10-13)23-21-22-11-14-7-8-16-18(17(14)25-21)24-19(29-16)20(28)26(2)3/h4-6,10-11H,7-9H2,1-3H3,(H,22,23,25).
What are the key properties of N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide?
N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-8-[3-(2-oxopropyl)anilino]-4,5-dihydro-[1,3]thiazolo[5,4-h]quinazoline-2-carboxamide is sourced from PubChem (CID 158478356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).