N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide

C16H15N5OS — CID 91765837

IUPACN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)c1cn2ncsc2n1
InChIInChI=1S/C16H15N5OS/c1-10(13-8-21-16(19-13)23-9-17-21)18-15(22)12-7-20(2)14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,18,22)
InChIKeySGUCKECYJWXPSM-UHFFFAOYSA-N
MW325.40 g/mol
LogP2.77
Rot. Bonds3

About N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide (PubChem CID 91765837) has the molecular formula C16H15N5OS and a molecular weight of 325.40 g/mol. Its IUPAC name is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
PubChem CID91765837
Molecular FormulaC16H15N5OS
Molecular Weight325.40 g/mol
Exact Mass325.10
IUPAC NameN-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccccc12)c1cn2ncsc2n1
InChIInChI=1S/C16H15N5OS/c1-10(13-8-21-16(19-13)23-9-17-21)18-15(22)12-7-20(2)14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,18,22)
InChIKeySGUCKECYJWXPSM-UHFFFAOYSA-N
XLogP2.77
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-oxo-1H-quinazoline-4-carboxamide
CID 91772701
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-1-methylindole-3-carboxamide
CID 91787907
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)-2-[(1-methylindole-3-carbonyl)amino]propanoate
CID 47337364
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
N-[(1R)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 97146678
2-ethoxy-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2,2-diphenylacetamide
CID 119062039
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)-5-propyl-1,2-oxazole-3-carboxamide
CID 70753994
N-[(1S)-1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 97145627

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide?
The IUPAC name of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide (CID 91765837) is N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide.
What is the SMILES notation for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide?
The canonical SMILES for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide is CC(NC(=O)c1cn(C)c2ccccc12)c1cn2ncsc2n1.
What is the InChIKey of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide?
The InChIKey is SGUCKECYJWXPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS/c1-10(13-8-21-16(19-13)23-9-17-21)18-15(22)12-7-20(2)14-6-4-3-5-11(12)14/h3-10H,1-2H3,(H,18,22).
What are the key properties of N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide?
N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide has a molecular weight of 325.40 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1-methylindole-3-carboxamide is sourced from PubChem (CID 91765837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).