2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C21H17ClN4O2S — CID 16915177

IUPAC2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O2S/c22-15-7-5-13(6-8-15)19(27)26-21-25-18(12-29-21)20(28)23-10-9-14-11-24-17-4-2-1-3-16(14)17/h1-8,11-12,24H,9-10H2,(H,23,28)(H,25,26,27)
InChIKeyRUDWNIAPYGLBOR-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.50
Rot. Bonds6

About 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 16915177) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID16915177
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN4O2S/c22-15-7-5-13(6-8-15)19(27)26-21-25-18(12-29-21)20(28)23-10-9-14-11-24-17-4-2-1-3-16(14)17/h1-8,11-12,24H,9-10H2,(H,23,28)(H,25,26,27)
InChIKeyRUDWNIAPYGLBOR-UHFFFAOYSA-N
XLogP4.50
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]benzamide
CID 26710991
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 16813547
2-(2-aminoethyl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120616534
1-N,4-N-bis[2-(1H-indol-3-yl)ethyl]benzene-1,4-dicarboxamide
CID 42988811
N-[2-(1H-indol-3-yl)ethyl]-2-[1-(propanoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 90757467
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
6-chloro-N-[2-(1H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 103186743
2-[(4-chlorobenzoyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 16915082
6-(4-chloroanilino)-N-[2-(1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 109159757
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235
4-chloro-N'-[3-(1H-indol-3-yl)propanoyl]benzohydrazide
CID 2088419

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 16915177) is 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc(C(=O)NCCc2c[nH]c3ccccc23)cs1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is RUDWNIAPYGLBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c22-15-7-5-13(6-8-15)19(27)26-21-25-18(12-29-21)20(28)23-10-9-14-11-24-17-4-2-1-3-16(14)17/h1-8,11-12,24H,9-10H2,(H,23,28)(H,25,26,27).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 424.91 g/mol, XLogP of 4.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).