N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide

C14H15N5OS — CID 91787907

IUPACN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)c1nnc(N)s1
InChIInChI=1S/C14H15N5OS/c1-8(13-17-18-14(15)21-13)16-12(20)10-7-19(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H2,15,18)(H,16,20)
InChIKeyVZOQEKZGQVLQKC-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.10
Rot. Bonds3

About N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide

N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 91787907) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
PubChem CID91787907
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC NameN-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)c1nnc(N)s1
InChIInChI=1S/C14H15N5OS/c1-8(13-17-18-14(15)21-13)16-12(20)10-7-19(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H2,15,18)(H,16,20)
InChIKeyVZOQEKZGQVLQKC-UHFFFAOYSA-N
XLogP2.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
N-[(1S)-1-(2-bromophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9152128
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]indole-3-carboxamide
CID 103741487
methyl (2S)-3-methyl-2-[(1-methylindole-3-carbonyl)amino]butanoate
CID 51681664
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
CID 91765837
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]quinoxaline-2-carboxamide
CID 91786383
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
N-[(1S)-1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 97142637
N-[(2R)-1-hydroxybutan-2-yl]-1-methylindole-3-carboxamide
CID 93033635
3-hydroxy-2-[(1-methylindole-3-carbonyl)amino]propanoic acid
CID 43171666
1-methyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]indole-3-carboxamide
CID 9227848
N-(3-amino-2-hydroxy-3-oxopropyl)-1-methylindole-3-carboxamide
CID 107362608

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide (CID 91787907) is N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide is CC(NC(=O)c1cn(C)c2ccccc12)c1nnc(N)s1.
What is the InChIKey of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is VZOQEKZGQVLQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-8(13-17-18-14(15)21-13)16-12(20)10-7-19(2)11-6-4-3-5-9(10)11/h3-8H,1-2H3,(H2,15,18)(H,16,20).
What are the key properties of N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide?
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 301.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 91787907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).