2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide

C14H13N3OS — CID 166187686

IUPAC2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)[nH]c3ccccc23)sn1
InChIInChI=1S/C14H13N3OS/c1-8-7-12(19-17-8)16-14(18)13-9(2)15-11-6-4-3-5-10(11)13/h3-7,15H,1-2H3,(H,16,18)
InChIKeyOVNRMSFMXRYJOL-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.49
Rot. Bonds2

About 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide

2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide (PubChem CID 166187686) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
PubChem CID166187686
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide
SMILESCc1cc(NC(=O)c2c(C)[nH]c3ccccc23)sn1
InChIInChI=1S/C14H13N3OS/c1-8-7-12(19-17-8)16-14(18)13-9(2)15-11-6-4-3-5-10(11)13/h3-7,15H,1-2H3,(H,16,18)
InChIKeyOVNRMSFMXRYJOL-UHFFFAOYSA-N
XLogP3.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide?
The IUPAC name of 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide (CID 166187686) is 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide is Cc1cc(NC(=O)c2c(C)[nH]c3ccccc23)sn1.
What is the InChIKey of 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide?
The InChIKey is OVNRMSFMXRYJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-8-7-12(19-17-8)16-14(18)13-9(2)15-11-6-4-3-5-10(11)13/h3-7,15H,1-2H3,(H,16,18).
What are the key properties of 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide?
2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 166187686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).