N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

C15H16N4OS — CID 17446454

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1
InChIInChI=1S/C15H16N4OS/c1-4-13-18-19-15(21-13)17-14(20)10-5-6-12-11(7-10)8(2)9(3)16-12/h5-7,16H,4H2,1-3H3,(H,17,19,20)
InChIKeyGBSLAMGBOFEPGQ-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.45
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 17446454) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID17446454
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1
InChIInChI=1S/C15H16N4OS/c1-4-13-18-19-15(21-13)17-14(20)10-5-6-12-11(7-10)8(2)9(3)16-12/h5-7,16H,4H2,1-3H3,(H,17,19,20)
InChIKeyGBSLAMGBOFEPGQ-UHFFFAOYSA-N
XLogP3.45
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-5-carboxamide
CID 743085
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
CID 5408289
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
2,3-dimethyl-N-(4-methyl-1H-pyrazol-5-yl)-1H-indole-5-carboxamide
CID 115630320
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 23474771
N-[3-(butanoylamino)phenyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 87040999
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylbenzoyl)amino]benzamide
CID 17311355
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(methanesulfonamido)-1,3-benzothiazole-6-carboxamide
CID 39036878
2,3-dimethyl-N-(3-methylpentan-2-yl)-1H-indole-5-carboxamide
CID 61409406
[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl] acetate
CID 1091095
N',N',2,3-tetramethyl-1H-indole-5-carbohydrazide
CID 78911937
N-(3-ethylpentan-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide
CID 63836824

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 17446454) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is CCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is GBSLAMGBOFEPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-4-13-18-19-15(21-13)17-14(20)10-5-6-12-11(7-10)8(2)9(3)16-12/h5-7,16H,4H2,1-3H3,(H,17,19,20).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 17446454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).