4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C22H19ClN4O2S — CID 18567947

IUPAC4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H19ClN4O2S/c23-16-7-5-14(6-8-16)21(29)27-22-26-17(13-30-22)11-20(28)24-10-9-15-12-25-19-4-2-1-3-18(15)19/h1-8,12-13,25H,9-11H2,(H,24,28)(H,26,27,29)
InChIKeyZVNUHNSHPMXNQE-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.43
Rot. Bonds7

About 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 18567947) has the molecular formula C22H19ClN4O2S and a molecular weight of 438.94 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID18567947
Molecular FormulaC22H19ClN4O2S
Molecular Weight438.94 g/mol
Exact Mass438.09
IUPAC Name4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H19ClN4O2S/c23-16-7-5-14(6-8-16)21(29)27-22-26-17(13-30-22)11-20(28)24-10-9-15-12-25-19-4-2-1-3-18(15)19/h1-8,12-13,25H,9-11H2,(H,24,28)(H,26,27,29)
InChIKeyZVNUHNSHPMXNQE-UHFFFAOYSA-N
XLogP4.43
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide with MolForge

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Related Compounds

Indole-based 6-membered lactam, 3b
CID 44143545
2-(1H-indol-3-yl)-2-oxo-N-(2-thiazolyl)acetamide
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Indole-based 6-membered lactam, 3e
CID 44143547
[4-[2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-propylamino]ethyl]piperazin-1-yl]-(1H-indol-3-yl)methanone
CID 60148496
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-N-(4-methylthiazol-2-yl)-1H-indole-7-carboxamide
CID 71597197
2-chloro-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 950075
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(5-methyl-1,3-thiazol-2-yl)-2-oxoacetamide
CID 23397133
2-{[(4-chlorophenyl)carbamoyl]amino}-6-{3-[3-(1H-indol-3-yl)propanamido]propyl}-4H,5H,6H,7H-thieno[2,3-c]pyridine-3-carboxamide
CID 118307334
N-[(4-chlorophenyl)methyl]-6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carboxamide
CID 121476940
(E)-N-[5-(4-Chloro-benzyl)-thiazol-2-yl]-2-cyano-3-(1-methyl-1H-indol-3-yl)-acrylamide
CID 1194142
2-(1H-indol-3-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2107595
N-(2-(1H-indol-3-yl)ethyl)-2-(phenylamino)thiazole-4-carboxamide
CID 44069541

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 18567947) is 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is ZVNUHNSHPMXNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O2S/c23-16-7-5-14(6-8-16)21(29)27-22-26-17(13-30-22)11-20(28)24-10-9-15-12-25-19-4-2-1-3-18(15)19/h1-8,12-13,25H,9-11H2,(H,24,28)(H,26,27,29).
What are the key properties of 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.94 g/mol, XLogP of 4.43, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 18567947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).