1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone

C19H24ClN5OS — CID 66974240

IUPAC1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC2CSC(c3cc4cc(Cl)cc(N)c4[nH]3)=N2)CC1
InChIInChI=1S/C19H24ClN5OS/c1-12(26)25-6-4-24(5-7-25)3-2-15-11-27-19(22-15)17-9-13-8-14(20)10-16(21)18(13)23-17/h8-10,15,23H,2-7,11,21H2,1H3
InChIKeyJKRMGFKULAWOPR-UHFFFAOYSA-N
MW405.96 g/mol
LogP2.82
Rot. Bonds4

About 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone

1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone (PubChem CID 66974240) has the molecular formula C19H24ClN5OS and a molecular weight of 405.96 g/mol. Its IUPAC name is 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
PubChem CID66974240
Molecular FormulaC19H24ClN5OS
Molecular Weight405.96 g/mol
Exact Mass405.14
IUPAC Name1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(CCC2CSC(c3cc4cc(Cl)cc(N)c4[nH]3)=N2)CC1
InChIInChI=1S/C19H24ClN5OS/c1-12(26)25-6-4-24(5-7-25)3-2-15-11-27-19(22-15)17-9-13-8-14(20)10-16(21)18(13)23-17/h8-10,15,23H,2-7,11,21H2,1H3
InChIKeyJKRMGFKULAWOPR-UHFFFAOYSA-N
XLogP2.82
TPSA77.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.96
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

N-[3-(6-chloro-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)propyl]butanamide
CID 171854957
1-[4-(2-{(R)-2-[5-chloro-7-(tetrahydro-pyran-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-thiazol-4-yl}-ethyl)-piperazin-1-yl]-3,3,3-trifluoro-propan-1-one
CID 59542990
4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one
CID 59543014
2-[(R)-2-(7-cyclopentylamino-5-fluoro-1H-indol-2-yl)-4,5-dihydro-thiazol-4-yl]-1-(4-methyl-piperazin-1-yl)-ethanone
CID 59543082
1-[4-[2-[(4R)-2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
CID 59543114
1-(4-acetyl-piperazin-1-yl)-2-[(R)-2-(7-cyclopentylamino-5-fluoro-1H-indol-2-yl)-4,5-dihydro-thiazol-4-yl]-ethanone
CID 59543116
1-(4-acetylpiperazin-1-yl)-2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethanone
CID 66974258
1-[4-[2-[2-[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 66974295
1-[4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone
CID 66974329
4-[2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-2-one
CID 66974369
2-[2-[7-(cyclopentylamino)-5-fluoro-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66974377
1-[4-[2-[(4R)-2-[5-chloro-7-(oxan-4-ylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 87468573

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone (CID 66974240) is 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(CCC2CSC(c3cc4cc(Cl)cc(N)c4[nH]3)=N2)CC1.
What is the InChIKey of 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
The InChIKey is JKRMGFKULAWOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5OS/c1-12(26)25-6-4-24(5-7-25)3-2-15-11-27-19(22-15)17-9-13-8-14(20)10-16(21)18(13)23-17/h8-10,15,23H,2-7,11,21H2,1H3.
What are the key properties of 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone?
1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone has a molecular weight of 405.96 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[2-(7-amino-5-chloro-1H-indol-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 66974240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).