N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide

C15H19N3O2S — CID 138020987

IUPACN-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
SMILESCOCCCCN(C)C(=O)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H19N3O2S/c1-18(10-6-7-11-20-2)15(19)14-16-13(17-21-14)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyQVFSLAYDNVRRIF-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.70
Rot. Bonds7

About N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide

N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide (PubChem CID 138020987) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
PubChem CID138020987
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide
SMILESCOCCCCN(C)C(=O)c1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H19N3O2S/c1-18(10-6-7-11-20-2)15(19)14-16-13(17-21-14)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
InChIKeyQVFSLAYDNVRRIF-UHFFFAOYSA-N
XLogP2.70
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-methoxypropyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 55140872
N-butyl-6-(3-methoxypropylamino)-N-methyl-2-phenylpyrimidine-4-carboxamide
CID 112853309
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
2-amino-N-(3-methoxypropyl)-N-methylbenzamide
CID 62983937
2-amino-N-(3-methoxypropyl)-N-methyl-2-phenylpropanamide;hydrochloride
CID 120590580
2-amino-N-(3-methoxypropyl)-N-methyl-1,3-benzothiazole-6-carboxamide
CID 65349262
4-amino-N-(4-methoxybutyl)-N-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine-5-carboxamide
CID 159200677
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
N,4-dimethyl-2-phenyl-N-(3-phenylpropyl)-1,3-thiazole-5-carboxamide
CID 55710205
2-(3-phenyl-1,2,4-thiadiazol-5-yl)acetic acid
CID 22492184
N-(4-aminobutyl)-N-methylbenzamide
CID 119088367

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
The IUPAC name of N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide (CID 138020987) is N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
The canonical SMILES for N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide is COCCCCN(C)C(=O)c1nc(-c2ccccc2)ns1.
What is the InChIKey of N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
The InChIKey is QVFSLAYDNVRRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-18(10-6-7-11-20-2)15(19)14-16-13(17-21-14)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3.
What are the key properties of N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide?
N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutyl)-N-methyl-3-phenyl-1,2,4-thiadiazole-5-carboxamide is sourced from PubChem (CID 138020987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).