1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide

C22H18N4OS — CID 55827646

IUPAC1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H18N4OS/c27-21(23-13-18-15-25-10-11-28-22(25)24-18)20-12-17-8-4-5-9-19(17)26(20)14-16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,23,27)
InChIKeyUPLMJKLYQKTFRM-UHFFFAOYSA-N
MW386.48 g/mol
LogP4.33
Rot. Bonds5

About 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide

1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide (PubChem CID 55827646) has the molecular formula C22H18N4OS and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide
PubChem CID55827646
Molecular FormulaC22H18N4OS
Molecular Weight386.48 g/mol
Exact Mass386.12
IUPAC Name1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide
SMILESO=C(NCc1cn2ccsc2n1)c1cc2ccccc2n1Cc1ccccc1
InChIInChI=1S/C22H18N4OS/c27-21(23-13-18-15-25-10-11-28-22(25)24-18)20-12-17-8-4-5-9-19(17)26(20)14-16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,23,27)
InChIKeyUPLMJKLYQKTFRM-UHFFFAOYSA-N
XLogP4.33
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide?
The IUPAC name of 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide (CID 55827646) is 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide is O=C(NCc1cn2ccsc2n1)c1cc2ccccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide?
The InChIKey is UPLMJKLYQKTFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4OS/c27-21(23-13-18-15-25-10-11-28-22(25)24-18)20-12-17-8-4-5-9-19(17)26(20)14-16-6-2-1-3-7-16/h1-12,15H,13-14H2,(H,23,27).
What are the key properties of 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide?
1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)indole-2-carboxamide is sourced from PubChem (CID 55827646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).