2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

C20H28N6O2S2 — CID 15754636

IUPAC2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1nc2ccc3nc(NC(=O)CN(CC)CC)sc3c2s1
InChIInChI=1S/C20H28N6O2S2/c1-5-25(6-2)11-15(27)23-19-21-13-9-10-14-18(17(13)29-19)30-20(22-14)24-16(28)12-26(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3,(H,21,23,27)(H,22,24,28)
InChIKeyCPBKMKJLXUUMSH-UHFFFAOYSA-N
MW448.62 g/mol
LogP3.47
Rot. Bonds10

About 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide

2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (PubChem CID 15754636) has the molecular formula C20H28N6O2S2 and a molecular weight of 448.62 g/mol. Its IUPAC name is 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
PubChem CID15754636
Molecular FormulaC20H28N6O2S2
Molecular Weight448.62 g/mol
Exact Mass448.17
IUPAC Name2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
SMILESCCN(CC)CC(=O)Nc1nc2ccc3nc(NC(=O)CN(CC)CC)sc3c2s1
InChIInChI=1S/C20H28N6O2S2/c1-5-25(6-2)11-15(27)23-19-21-13-9-10-14-18(17(13)29-19)30-20(22-14)24-16(28)12-26(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3,(H,21,23,27)(H,22,24,28)
InChIKeyCPBKMKJLXUUMSH-UHFFFAOYSA-N
XLogP3.47
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.62
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide
CID 15180020
N-[4-chloro-8-cyano-2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide
CID 15180019
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 111334134
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
N-benzo[g][1,3]benzothiazol-2-ylbutanamide
CID 5054800
N-(1,3-benzothiazol-2-yl)-2-[bis(2-hydroxyethyl)amino]acetamide
CID 60686532
N-(2-methylsulfanyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl)-2-phenylacetamide
CID 5085616
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 86911557
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
N-(6-amino-1,3-benzothiazol-2-yl)-2-[methyl(propyl)amino]acetamide
CID 43270858
2-(4-methoxyphenoxy)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601713
2-(3-methylphenyl)-N-(7-methyl-[1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)acetamide
CID 90601738

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide (CID 15754636) is 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is CCN(CC)CC(=O)Nc1nc2ccc3nc(NC(=O)CN(CC)CC)sc3c2s1.
What is the InChIKey of 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
The InChIKey is CPBKMKJLXUUMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2S2/c1-5-25(6-2)11-15(27)23-19-21-13-9-10-14-18(17(13)29-19)30-20(22-14)24-16(28)12-26(7-3)8-4/h9-10H,5-8,11-12H2,1-4H3,(H,21,23,27)(H,22,24,28).
What are the key properties of 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide?
2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide has a molecular weight of 448.62 g/mol, XLogP of 3.47, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide is sourced from PubChem (CID 15754636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).