N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

C24H25N5S2 — CID 162743449

IUPACN'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cncs1)C(CNSc1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12
InChIInChI=1S/C24H25N5S2/c1-28(14-19-12-25-16-30-19)24(21-15-29(2)23-6-4-3-5-20(21)23)13-27-31-18-8-7-17-9-10-26-22(17)11-18/h3-12,15-16,24,26-27H,13-14H2,1-2H3
InChIKeyDPDWMTQJGZWZMH-UHFFFAOYSA-N
MW447.63 g/mol
LogP5.59
Rot. Bonds8

About N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine

N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (PubChem CID 162743449) has the molecular formula C24H25N5S2 and a molecular weight of 447.63 g/mol. Its IUPAC name is N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
PubChem CID162743449
Molecular FormulaC24H25N5S2
Molecular Weight447.63 g/mol
Exact Mass447.16
IUPAC NameN'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine
SMILESCN(Cc1cncs1)C(CNSc1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12
InChIInChI=1S/C24H25N5S2/c1-28(14-19-12-25-16-30-19)24(21-15-29(2)23-6-4-3-5-20(21)23)13-27-31-18-8-7-17-9-10-26-22(17)11-18/h3-12,15-16,24,26-27H,13-14H2,1-2H3
InChIKeyDPDWMTQJGZWZMH-UHFFFAOYSA-N
XLogP5.59
TPSA48.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.63
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine (CID 162743449) is N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is CN(Cc1cncs1)C(CNSc1ccc2cc[nH]c2c1)c1cn(C)c2ccccc12.
What is the InChIKey of N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
The InChIKey is DPDWMTQJGZWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5S2/c1-28(14-19-12-25-16-30-19)24(21-15-29(2)23-6-4-3-5-20(21)23)13-27-31-18-8-7-17-9-10-26-22(17)11-18/h3-12,15-16,24,26-27H,13-14H2,1-2H3.
What are the key properties of N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine?
N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine has a molecular weight of 447.63 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-indol-6-ylsulfanyl)-N-methyl-1-(1-methylindol-3-yl)-N-(1,3-thiazol-5-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 162743449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).