2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H20ClN5O2S — CID 16813547

IUPAC2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20ClN5O2S/c23-15-5-7-16(8-6-15)26-21(30)28-22-27-17(13-31-22)11-20(29)24-10-9-14-12-25-19-4-2-1-3-18(14)19/h1-8,12-13,25H,9-11H2,(H,24,29)(H2,26,27,28,30)
InChIKeyGYPRHBBGMSABNL-UHFFFAOYSA-N
MW453.96 g/mol
LogP4.82
Rot. Bonds7

About 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 16813547) has the molecular formula C22H20ClN5O2S and a molecular weight of 453.96 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID16813547
Molecular FormulaC22H20ClN5O2S
Molecular Weight453.96 g/mol
Exact Mass453.10
IUPAC Name2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20ClN5O2S/c23-15-5-7-16(8-6-15)26-21(30)28-22-27-17(13-31-22)11-20(29)24-10-9-14-12-25-19-4-2-1-3-18(14)19/h1-8,12-13,25H,9-11H2,(H,24,29)(H2,26,27,28,30)
InChIKeyGYPRHBBGMSABNL-UHFFFAOYSA-N
XLogP4.82
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.96
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 41228240
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 16915177
2-(2-ethylsulfanyl-1,3-thiazol-4-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 50969240
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-phenylethyl)acetamide
CID 18567492
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897543
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
N-(1,3-benzothiazol-2-yl)-2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567599
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 26841666
4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 16813547) is 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is GYPRHBBGMSABNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2S/c23-15-5-7-16(8-6-15)26-21(30)28-22-27-17(13-31-22)11-20(29)24-10-9-14-12-25-19-4-2-1-3-18(14)19/h1-8,12-13,25H,9-11H2,(H,24,29)(H2,26,27,28,30).
What are the key properties of 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 453.96 g/mol, XLogP of 4.82, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 16813547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).