6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

C16H13ClN4OS — CID 2348861

IUPAC6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12
InChIInChI=1S/C16H13ClN4OS/c17-14-13(21-7-8-23-16(21)20-14)15(22)18-6-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,7-9,19H,5-6H2,(H,18,22)
InChIKeyKDWSTGAQUSABJA-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.50
Rot. Bonds4

About 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 2348861) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID2348861
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12
InChIInChI=1S/C16H13ClN4OS/c17-14-13(21-7-8-23-16(21)20-14)15(22)18-6-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,7-9,19H,5-6H2,(H,18,22)
InChIKeyKDWSTGAQUSABJA-UHFFFAOYSA-N
XLogP3.50
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 2348861) is 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1c(Cl)nc2sccn12.
What is the InChIKey of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is KDWSTGAQUSABJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c17-14-13(21-7-8-23-16(21)20-14)15(22)18-6-5-10-9-19-12-4-2-1-3-11(10)12/h1-4,7-9,19H,5-6H2,(H,18,22).
What are the key properties of 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(1H-indol-3-yl)ethyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 2348861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).