1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

C25H35N5S — CID 163774256

IUPAC1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCN1CCN(c2ncc(CNC(Cc3c[nH]c4ccccc34)C3CCCCC3)s2)CC1
InChIInChI=1S/C25H35N5S/c1-29-11-13-30(14-12-29)25-28-18-21(31-25)17-27-24(19-7-3-2-4-8-19)15-20-16-26-23-10-6-5-9-22(20)23/h5-6,9-10,16,18-19,24,26-27H,2-4,7-8,11-15,17H2,1H3
InChIKeyMJAWDULFMHKWHT-UHFFFAOYSA-N
MW437.66 g/mol
LogP4.66
Rot. Bonds7

About 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine

1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 163774256) has the molecular formula C25H35N5S and a molecular weight of 437.66 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID163774256
Molecular FormulaC25H35N5S
Molecular Weight437.66 g/mol
Exact Mass437.26
IUPAC Name1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCN1CCN(c2ncc(CNC(Cc3c[nH]c4ccccc34)C3CCCCC3)s2)CC1
InChIInChI=1S/C25H35N5S/c1-29-11-13-30(14-12-29)25-28-18-21(31-25)17-27-24(19-7-3-2-4-8-19)15-20-16-26-23-10-6-5-9-22(20)23/h5-6,9-10,16,18-19,24,26-27H,2-4,7-8,11-15,17H2,1H3
InChIKeyMJAWDULFMHKWHT-UHFFFAOYSA-N
XLogP4.66
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.66
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 163774256) is 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CN1CCN(c2ncc(CNC(Cc3c[nH]c4ccccc34)C3CCCCC3)s2)CC1.
What is the InChIKey of 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MJAWDULFMHKWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5S/c1-29-11-13-30(14-12-29)25-28-18-21(31-25)17-27-24(19-7-3-2-4-8-19)15-20-16-26-23-10-6-5-9-22(20)23/h5-6,9-10,16,18-19,24,26-27H,2-4,7-8,11-15,17H2,1H3.
What are the key properties of 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 437.66 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1H-indol-3-yl)-N-[[2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 163774256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).