N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

C15H13N3OS — CID 5336341

IUPACN-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C15H13N3OS/c1-10-6-7-11(20-10)8-17-18-15(19)13-9-16-14-5-3-2-4-12(13)14/h2-9,16H,1H3,(H,18,19)/b17-8+
InChIKeyBPKHDVPJNOZUHJ-CAOOACKPSA-N
MW283.36 g/mol
LogP3.30
Rot. Bonds3

About N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide

N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (PubChem CID 5336341) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
PubChem CID5336341
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide
SMILESCc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1
InChIInChI=1S/C15H13N3OS/c1-10-6-7-11(20-10)8-17-18-15(19)13-9-16-14-5-3-2-4-12(13)14/h2-9,16H,1H3,(H,18,19)/b17-8+
InChIKeyBPKHDVPJNOZUHJ-CAOOACKPSA-N
XLogP3.30
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-(2-Methylindol-3-yl)ethyl)-2-thienylcarboxamide
CID 588963
1H-indole-3-carboxamide
CID 2192542
Benzoic acid (1H-indol-3-ylmethylene)-hydrazide
CID 135495642
2-(5-Methylthien-3-yl)-2,5-dihydro-3H-pyrazolo(4,3-c)quinolin-3-one
CID 113637
1H-indole-3-carbohydrazide
CID 27199
Pyrrolopyridine, 13
CID 16719973
Pyrrolopyridine, 15
CID 16719976
2-(Thiophen-3-yl)-1,2-dihydro-3H-pyrazolo[4,3-c]quinolin-3-one
CID 13909320
2-thiophen-2-yl-1H-pyrazolo[4,3-c]quinolin-3-one
CID 13909335
1-(2-methyl-1H-indol-3-yl)-2-(pyridin-2-ylsulfanyl)ethanone
CID 753522
N'-[(E)-(4-bromothiophen-2-yl)methylidene]-1H-indole-3-carbohydrazide
CID 9557417
1H-indole-7-carbohydrazide
CID 712457

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The IUPAC name of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide (CID 5336341) is N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide.
What is the SMILES notation for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The canonical SMILES for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is Cc1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
The InChIKey is BPKHDVPJNOZUHJ-CAOOACKPSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-6-7-11(20-10)8-17-18-15(19)13-9-16-14-5-3-2-4-12(13)14/h2-9,16H,1H3,(H,18,19)/b17-8+.
What are the key properties of N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide?
N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-methylthiophen-2-yl)methylideneamino]-1H-indole-3-carboxamide is sourced from PubChem (CID 5336341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).