1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one

C24H32ClN5OS — CID 91301537

IUPAC1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one
SMILESCN1CCN(CC(=O)CC2CSC(c3cc4cc(Cl)cc(NC5CCCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H32ClN5OS/c1-29-6-8-30(9-7-29)14-20(31)13-19-15-32-24(27-19)22-11-16-10-17(25)12-21(23(16)28-22)26-18-4-2-3-5-18/h10-12,18-19,26,28H,2-9,13-15H2,1H3
InChIKeyRHLHWFHEKQGLMF-UHFFFAOYSA-N
MW474.07 g/mol
LogP4.24
Rot. Bonds7

About 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one

1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one (PubChem CID 91301537) has the molecular formula C24H32ClN5OS and a molecular weight of 474.07 g/mol. Its IUPAC name is 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one.

Molecular Properties

Compound Name1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one
PubChem CID91301537
Molecular FormulaC24H32ClN5OS
Molecular Weight474.07 g/mol
Exact Mass473.20
IUPAC Name1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one
SMILESCN1CCN(CC(=O)CC2CSC(c3cc4cc(Cl)cc(NC5CCCC5)c4[nH]3)=N2)CC1
InChIInChI=1S/C24H32ClN5OS/c1-29-6-8-30(9-7-29)14-20(31)13-19-15-32-24(27-19)22-11-16-10-17(25)12-21(23(16)28-22)26-18-4-2-3-5-18/h10-12,18-19,26,28H,2-9,13-15H2,1H3
InChIKeyRHLHWFHEKQGLMF-UHFFFAOYSA-N
XLogP4.24
TPSA63.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.07
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one?
The IUPAC name of 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one (CID 91301537) is 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one.
What is the SMILES notation for 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one?
The canonical SMILES for 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one is CN1CCN(CC(=O)CC2CSC(c3cc4cc(Cl)cc(NC5CCCC5)c4[nH]3)=N2)CC1.
What is the InChIKey of 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one?
The InChIKey is RHLHWFHEKQGLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN5OS/c1-29-6-8-30(9-7-29)14-20(31)13-19-15-32-24(27-19)22-11-16-10-17(25)12-21(23(16)28-22)26-18-4-2-3-5-18/h10-12,18-19,26,28H,2-9,13-15H2,1H3.
What are the key properties of 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one?
1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one has a molecular weight of 474.07 g/mol, XLogP of 4.24, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-chloro-7-(cyclopentylamino)-1H-indol-2-yl]-4,5-dihydro-1,3-thiazol-4-yl]-3-(4-methylpiperazin-1-yl)propan-2-one is sourced from PubChem (CID 91301537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).