5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine

C19H26N4OS2 — CID 143661029

IUPAC5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
SMILESCNc1cc(OC)cc2cc(C3=NCC(CCN4CCSCC4)S3)[nH]c12
InChIInChI=1S/C19H26N4OS2/c1-20-16-11-14(24-2)9-13-10-17(22-18(13)16)19-21-12-15(26-19)3-4-23-5-7-25-8-6-23/h9-11,15,20,22H,3-8,12H2,1-2H3
InChIKeyUBVQRPCNEBFZIH-UHFFFAOYSA-N
MW390.58 g/mol
LogP3.52
Rot. Bonds6

About 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine

5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine (PubChem CID 143661029) has the molecular formula C19H26N4OS2 and a molecular weight of 390.58 g/mol. Its IUPAC name is 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
PubChem CID143661029
Molecular FormulaC19H26N4OS2
Molecular Weight390.58 g/mol
Exact Mass390.15
IUPAC Name5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine
SMILESCNc1cc(OC)cc2cc(C3=NCC(CCN4CCSCC4)S3)[nH]c12
InChIInChI=1S/C19H26N4OS2/c1-20-16-11-14(24-2)9-13-10-17(22-18(13)16)19-21-12-15(26-19)3-4-23-5-7-25-8-6-23/h9-11,15,20,22H,3-8,12H2,1-2H3
InChIKeyUBVQRPCNEBFZIH-UHFFFAOYSA-N
XLogP3.52
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
The IUPAC name of 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine (CID 143661029) is 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine.
What is the SMILES notation for 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
The canonical SMILES for 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine is CNc1cc(OC)cc2cc(C3=NCC(CCN4CCSCC4)S3)[nH]c12.
What is the InChIKey of 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
The InChIKey is UBVQRPCNEBFZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS2/c1-20-16-11-14(24-2)9-13-10-17(22-18(13)16)19-21-12-15(26-19)3-4-23-5-7-25-8-6-23/h9-11,15,20,22H,3-8,12H2,1-2H3.
What are the key properties of 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine?
5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine has a molecular weight of 390.58 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-2-[5-(2-thiomorpholin-4-ylethyl)-4,5-dihydro-1,3-thiazol-2-yl]-1H-indol-7-amine is sourced from PubChem (CID 143661029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).