N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide

C26H31ClN6O2S2 — CID 15180020

IUPACN-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(CC)CC)sc3c(-c3ccccc3)c2s1
InChIInChI=1S/C26H31ClN6O2S2/c1-5-32(6-2)14-17(34)28-25-30-21-20(27)22-24(19(23(21)36-25)16-12-10-9-11-13-16)37-26(31-22)29-18(35)15-33(7-3)8-4/h9-13H,5-8,14-15H2,1-4H3,(H,28,30,34)(H,29,31,35)
InChIKeyFXSCTQQMYGVGTE-UHFFFAOYSA-N
MW559.16 g/mol
LogP5.79
Rot. Bonds11

About N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide

N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide (PubChem CID 15180020) has the molecular formula C26H31ClN6O2S2 and a molecular weight of 559.16 g/mol. Its IUPAC name is N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide
PubChem CID15180020
Molecular FormulaC26H31ClN6O2S2
Molecular Weight559.16 g/mol
Exact Mass558.16
IUPAC NameN-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide
SMILESCCN(CC)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(CC)CC)sc3c(-c3ccccc3)c2s1
InChIInChI=1S/C26H31ClN6O2S2/c1-5-32(6-2)14-17(34)28-25-30-21-20(27)22-24(19(23(21)36-25)16-12-10-9-11-13-16)37-26(31-22)29-18(35)15-33(7-3)8-4/h9-13H,5-8,14-15H2,1-4H3,(H,28,30,34)(H,29,31,35)
InChIKeyFXSCTQQMYGVGTE-UHFFFAOYSA-N
XLogP5.79
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.16
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-amino-N-[2-[(2-amino-2-methylpropanoyl)amino]-4-chloro-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-methylpropanamide
CID 88750802
2-(diethylamino)-N-[2-[[2-(diethylamino)acetyl]amino]-[1,3]thiazolo[4,5-g][1,3]benzothiazol-7-yl]acetamide
CID 15754636
N-(4,7-dichloro-1,3-benzothiazol-2-yl)propanamide
CID 2150740
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
2-(dibenzylamino)-N-(6-ethyl-5-phenyl-1,3-benzothiazol-2-yl)acetamide
CID 17066562
2-(diethylamino)-N-naphthalen-1-ylacetamide
CID 6421395
2-chloro-N-[4-chloro-2-[(2-chloroacetyl)amino]-8-cyano-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15180057
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-ethylamino]-N-phenylacetamide
CID 34925634
N-(4,7-dichloro-1,3-benzothiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 4671583
3-[[2-(2-chloroanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852075

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide?
The IUPAC name of 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) is N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide.
What is the SMILES notation for N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide?
The canonical SMILES for N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide is CCN(CC)CC(=O)Nc1nc2c(Cl)c3nc(NC(=O)CN(CC)CC)sc3c(-c3ccccc3)c2s1.
What is the InChIKey of N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide?
The InChIKey is FXSCTQQMYGVGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O2S2/c1-5-32(6-2)14-17(34)28-25-30-21-20(27)22-24(19(23(21)36-25)16-12-10-9-11-13-16)37-26(31-22)29-18(35)15-33(7-3)8-4/h9-13H,5-8,14-15H2,1-4H3,(H,28,30,34)(H,29,31,35).
What are the key properties of N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide?
N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide has a molecular weight of 559.16 g/mol, XLogP of 5.79, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[2-(diethylamino)acetyl]amino]-8-phenyl-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]-2-(diethylamino)acetamide is sourced from PubChem (CID 15180020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).