N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine

C23H27N5OS3 — CID 126635156

IUPACN-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
SMILESCN(Sc1ccsc1CNCCN1CCOCC1)c1cccc2cc(-c3nccs3)[nH]c12
InChIInChI=1S/C23H27N5OS3/c1-27(19-4-2-3-17-15-18(26-22(17)19)23-25-7-14-31-23)32-20-5-13-30-21(20)16-24-6-8-28-9-11-29-12-10-28/h2-5,7,13-15,24,26H,6,8-12,16H2,1H3
InChIKeyVQVYFQYQURBTCN-UHFFFAOYSA-N
MW485.70 g/mol
LogP4.92
Rot. Bonds9

About N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine

N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine (PubChem CID 126635156) has the molecular formula C23H27N5OS3 and a molecular weight of 485.70 g/mol. Its IUPAC name is N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine.

Molecular Properties

Compound NameN-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
PubChem CID126635156
Molecular FormulaC23H27N5OS3
Molecular Weight485.70 g/mol
Exact Mass485.14
IUPAC NameN-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine
SMILESCN(Sc1ccsc1CNCCN1CCOCC1)c1cccc2cc(-c3nccs3)[nH]c12
InChIInChI=1S/C23H27N5OS3/c1-27(19-4-2-3-17-15-18(26-22(17)19)23-25-7-14-31-23)32-20-5-13-30-21(20)16-24-6-8-28-9-11-29-12-10-28/h2-5,7,13-15,24,26H,6,8-12,16H2,1H3
InChIKeyVQVYFQYQURBTCN-UHFFFAOYSA-N
XLogP4.92
TPSA56.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.70
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(2-morpholin-4-ylethyl)-3-[3-(1,3-thiazol-2-yl)phenyl]urea
CID 60545810
[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methanol
CID 126635131
N-methyl-2-[5-(methylsulfonylmethyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylsulfanyl-1H-indol-7-amine
CID 126635143
2-(4-ethylpiperazin-1-yl)-N,N-dimethylacetamide;N-methyl-N-[2-(1,3-thiazol-2-yl)-1H-indol-7-yl]-2H-thiopyran-6-sulfonamide
CID 143661018
2-[[2-[7-[methyl(thiophen-2-ylsulfanyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methylsulfanyl]acetamide
CID 126635053
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 54883121
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502
1-(2-morpholin-4-ylethyl)-3-[4-(1,3-thiazol-2-yl)phenyl]thiourea
CID 8656184
N-[2-(5-methylfuran-2-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 11956880
2-morpholin-4-yl-N-(quinoxalin-2-ylmethyl)ethanamine
CID 43764194
N-methyl-N-[2-[5-methyl-5-(morpholin-4-ylmethyl)-4H-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfinamide
CID 143660910
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-morpholin-4-ylethanamine
CID 62742690

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
The IUPAC name of N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine (CID 126635156) is N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine.
What is the SMILES notation for N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
The canonical SMILES for N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine is CN(Sc1ccsc1CNCCN1CCOCC1)c1cccc2cc(-c3nccs3)[nH]c12.
What is the InChIKey of N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
The InChIKey is VQVYFQYQURBTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5OS3/c1-27(19-4-2-3-17-15-18(26-22(17)19)23-25-7-14-31-23)32-20-5-13-30-21(20)16-24-6-8-28-9-11-29-12-10-28/h2-5,7,13-15,24,26H,6,8-12,16H2,1H3.
What are the key properties of N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine?
N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine has a molecular weight of 485.70 g/mol, XLogP of 4.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[(2-morpholin-4-ylethylamino)methyl]thiophen-3-yl]sulfanyl-2-(1,3-thiazol-2-yl)-1H-indol-7-amine is sourced from PubChem (CID 126635156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).