N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

C18H21N3O2S — CID 128766465

IUPACN-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCC1(C)CCc2nc(NC(=O)C3CCC(=O)c4cccn43)sc2C1
InChIInChI=1S/C18H21N3O2S/c1-18(2)8-7-11-15(10-18)24-17(19-11)20-16(23)13-5-6-14(22)12-4-3-9-21(12)13/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20,23)
InChIKeyRKCJYLTYZMIZPL-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.62
Rot. Bonds2

About N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide

N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (PubChem CID 128766465) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
PubChem CID128766465
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
SMILESCC1(C)CCc2nc(NC(=O)C3CCC(=O)c4cccn43)sc2C1
InChIInChI=1S/C18H21N3O2S/c1-18(2)8-7-11-15(10-18)24-17(19-11)20-16(23)13-5-6-14(22)12-4-3-9-21(12)13/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20,23)
InChIKeyRKCJYLTYZMIZPL-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)acetamide
CID 144882024
N-[5-(3-methoxyphenyl)-1,3-thiazol-2-yl]-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide
CID 139330592
4-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-2-ethyl-4-oxobutanoic acid
CID 166335415
tert-butyl 4-[[2-chloro-6-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)amino]-4-pyridinyl]sulfanyl]piperidine-1-carboxylate
CID 144988098
5-[2-[5-(4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]acetyl]-6,7-dihydro-5H-indolizin-8-one
CID 160685717
1-(4-methylphenyl)sulfonyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 2948520
1-benzyl-N-(4-methyl-1,3-thiazol-2-yl)-5-oxopyrrolidine-2-carboxamide
CID 110674300
(2R)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide
CID 41166645
N-[(6R)-6-hydroxy-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]acetamide
CID 132510072
3-methylsulfonyl-N-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclohexane]-2-ylpyridine-2-carboxamide
CID 166325276
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42154122
N-[5-(4-pyrrol-1-ylbenzoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclopropanecarboxamide
CID 90525443

Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The IUPAC name of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide (CID 128766465) is N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide.
What is the SMILES notation for N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The canonical SMILES for N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is CC1(C)CCc2nc(NC(=O)C3CCC(=O)c4cccn43)sc2C1.
What is the InChIKey of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
The InChIKey is RKCJYLTYZMIZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-18(2)8-7-11-15(10-18)24-17(19-11)20-16(23)13-5-6-14(22)12-4-3-9-21(12)13/h3-4,9,13H,5-8,10H2,1-2H3,(H,19,20,23).
What are the key properties of N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide?
N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)-8-oxo-6,7-dihydro-5H-indolizine-5-carboxamide is sourced from PubChem (CID 128766465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).