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

C13H11N3OS — CID 61285056

IUPACN-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
SMILESO=C(NCc1nccs1)c1cccc2[nH]ccc12
InChIInChI=1S/C13H11N3OS/c17-13(16-8-12-15-6-7-18-12)10-2-1-3-11-9(10)4-5-14-11/h1-7,14H,8H2,(H,16,17)
InChIKeyDOMKAEGFLHPYGN-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.55
Rot. Bonds3

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

N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide (PubChem CID 61285056) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
PubChem CID61285056
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
SMILESO=C(NCc1nccs1)c1cccc2[nH]ccc12
InChIInChI=1S/C13H11N3OS/c17-13(16-8-12-15-6-7-18-12)10-2-1-3-11-9(10)4-5-14-11/h1-7,14H,8H2,(H,16,17)
InChIKeyDOMKAEGFLHPYGN-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-(1,3-thiazol-5-ylmethyl)-1H-indole-4-carboxamide
CID 104583473
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-indole-4-carboxamide
CID 63283681
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-indole-4-carboxamide
CID 134794214
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 107025613
N-[(5-bromothiophen-2-yl)methyl]-1H-indole-4-carboxamide
CID 54899979
N-(1H-pyrazol-4-ylmethyl)-1H-indole-4-carboxamide
CID 61003404
1H-indole-4-carbohydrazide
CID 43316644
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1H-indole-4-carboxamide
CID 103721276
2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103800073
N-(2-hydroxypropyl)-1H-indole-4-carboxamide
CID 43501200

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide (CID 61285056) is N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide is O=C(NCc1nccs1)c1cccc2[nH]ccc12.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide?
The InChIKey is DOMKAEGFLHPYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c17-13(16-8-12-15-6-7-18-12)10-2-1-3-11-9(10)4-5-14-11/h1-7,14H,8H2,(H,16,17).
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide?
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-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-2-ylmethyl)-1H-indole-4-carboxamide is sourced from PubChem (CID 61285056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).