2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide

C16H17N3OS — CID 77492758

IUPAC2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc2cc(C(C)NC(=O)c3cnc(C)s3)ccc2[nH]1
InChIInChI=1S/C16H17N3OS/c1-9-6-13-7-12(4-5-14(13)18-9)10(2)19-16(20)15-8-17-11(3)21-15/h4-8,10,18H,1-3H3,(H,19,20)
InChIKeyULIZOGOPMPNQPV-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.73
Rot. Bonds3

About 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide

2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 77492758) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID77492758
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC Name2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCc1cc2cc(C(C)NC(=O)c3cnc(C)s3)ccc2[nH]1
InChIInChI=1S/C16H17N3OS/c1-9-6-13-7-12(4-5-14(13)18-9)10(2)19-16(20)15-8-17-11(3)21-15/h4-8,10,18H,1-3H3,(H,19,20)
InChIKeyULIZOGOPMPNQPV-UHFFFAOYSA-N
XLogP3.73
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide (CID 77492758) is 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide is Cc1cc2cc(C(C)NC(=O)c3cnc(C)s3)ccc2[nH]1.
What is the InChIKey of 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is ULIZOGOPMPNQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-9-6-13-7-12(4-5-14(13)18-9)10(2)19-16(20)15-8-17-11(3)21-15/h4-8,10,18H,1-3H3,(H,19,20).
What are the key properties of 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide?
2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 299.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(2-methyl-1H-indol-5-yl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 77492758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).