N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

C13H11N3OS — CID 49346434

IUPACN-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1cscn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H11N3OS/c17-13(14-6-10-7-18-8-15-10)12-5-9-3-1-2-4-11(9)16-12/h1-5,7-8,16H,6H2,(H,14,17)
InChIKeyJLAHCLDMFGERJE-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.55
Rot. Bonds3

About N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 49346434) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID49346434
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
SMILESO=C(NCc1cscn1)c1cc2ccccc2[nH]1
InChIInChI=1S/C13H11N3OS/c17-13(14-6-10-7-18-8-15-10)12-5-9-3-1-2-4-11(9)16-12/h1-5,7-8,16H,6H2,(H,14,17)
InChIKeyJLAHCLDMFGERJE-UHFFFAOYSA-N
XLogP2.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-indole-2-carboxamide
CID 37157221
N-[(4-bromophenyl)methyl]-1H-indole-2-carboxamide
CID 46921176
N-[(2-fluorophenyl)methyl]-1H-indole-2-carboxamide
CID 9374796
N-(furan-3-ylmethyl)-1H-indole-2-carboxamide
CID 47034241
[4-[(1H-indole-2-carbonylamino)methyl]phenyl]boronic acid
CID 140927918
N-(cyanomethyl)-1H-indole-2-carboxamide
CID 61260784
N-[[5-(thiophene-3-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613208
N-[(2-methoxyphenyl)methyl]-1H-indole-2-carboxamide
CID 9270219
2-iodo-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346233
N-(6-hydroxyhexyl)-1H-indole-2-carboxamide
CID 11492630
bis(N-benzyl-1H-indole-2-carboxamide);ethane;ethanol;1H-indole-2-carboxylic acid;methanol;phenylmethanamine
CID 159149105
N-[(4-sulfamoylphenyl)methyl]-1H-indole-2-carboxamide
CID 23025509

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide (CID 49346434) is N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide is O=C(NCc1cscn1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is JLAHCLDMFGERJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13(14-6-10-7-18-8-15-10)12-5-9-3-1-2-4-11(9)16-12/h1-5,7-8,16H,6H2,(H,14,17).
What are the key properties of N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 257.32 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 49346434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).