4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide

C21H22N6OS — CID 158615706

IUPAC4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2nc3c(s2)-c2nc(-c4ccccc4)ncc2CC3)CC1
InChIInChI=1S/C21H22N6OS/c1-26-9-11-27(12-10-26)21(28)25-20-23-16-8-7-15-13-22-19(14-5-3-2-4-6-14)24-17(15)18(16)29-20/h2-6,13H,7-12H2,1H3,(H,23,25,28)
InChIKeyHXJAQZDXDAWNRM-UHFFFAOYSA-N
MW406.52 g/mol
LogP3.14
Rot. Bonds2

About 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide

4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide (PubChem CID 158615706) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide
PubChem CID158615706
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)Nc2nc3c(s2)-c2nc(-c4ccccc4)ncc2CC3)CC1
InChIInChI=1S/C21H22N6OS/c1-26-9-11-27(12-10-26)21(28)25-20-23-16-8-7-15-13-22-19(14-5-3-2-4-6-14)24-17(15)18(16)29-20/h2-6,13H,7-12H2,1H3,(H,23,25,28)
InChIKeyHXJAQZDXDAWNRM-UHFFFAOYSA-N
XLogP3.14
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Methylpiperazin-1-yl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21064919
3-[2-(2-Ethylpyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928512
(2s,3r)-N~1~-(8-Tert-Butyl-4,5-Dihydro[1,3]thiazolo[4,5-H]quinazolin-2-Yl)-3-Methylpyrrolidine-1,2-Dicarboxamide
CID 49854158
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-phenyl-amine
CID 11150562
3-[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 21928417
N,N-Dimethyl-N'-(2-methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-benzene-1,4-diamine
CID 11163528
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(4-morpholin-4-yl-phenyl)-amine
CID 11199830
N8-Phenyl-4,5-dihydro-thiazolo[4,5-h]quinazoline-2,8-diamine
CID 11266412
(2-Methyl-4,5-dihydro-thiazolo[4,5-h]quinazolin-8-yl)-(4-trifluoromethyl-phenyl)-amine
CID 11428427
N-(6-(2-benzylpyrimidin-4-yl)benzo[d]thiazol-2-yl)acetamide
CID 25182146
N-(4-(benzo[d]thiazol-2-yl)phenyl)-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 44564751
(2S,4R)-1-N-(8-tert-butyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)-4-(dimethylamino)pyrrolidine-1,2-dicarboxamide
CID 49853846

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide (CID 158615706) is 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide is CN1CCN(C(=O)Nc2nc3c(s2)-c2nc(-c4ccccc4)ncc2CC3)CC1.
What is the InChIKey of 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide?
The InChIKey is HXJAQZDXDAWNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-26-9-11-27(12-10-26)21(28)25-20-23-16-8-7-15-13-22-19(14-5-3-2-4-6-14)24-17(15)18(16)29-20/h2-6,13H,7-12H2,1H3,(H,23,25,28).
What are the key properties of 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide?
4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide has a molecular weight of 406.52 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(8-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 158615706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).