N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

C14H17N3O3S — CID 87040686

IUPACN-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cnsn2)cc1OC
InChIInChI=1S/C14H17N3O3S/c1-3-6-20-12-5-4-10(7-13(12)19-2)8-15-14(18)11-9-16-21-17-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,18)
InChIKeyPQTDHJGQLJECSQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.27
Rot. Bonds7

About N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide

N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 87040686) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID87040686
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide
SMILESCCCOc1ccc(CNC(=O)c2cnsn2)cc1OC
InChIInChI=1S/C14H17N3O3S/c1-3-6-20-12-5-4-10(7-13(12)19-2)8-15-14(18)11-9-16-21-17-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,18)
InChIKeyPQTDHJGQLJECSQ-UHFFFAOYSA-N
XLogP2.27
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(3-methoxy-4-propoxyphenyl)methylcarbamoyl]benzoate
CID 46409549
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
N-[(3-methoxy-4-propoxyphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 60508401
4-hexoxy-N-[(3-methoxy-4-propoxyphenyl)methyl]benzamide
CID 54776997
tert-butyl N-[(3-methoxy-4-propoxyphenyl)methyl]carbamate
CID 54777005
1-N,4-N-bis[(3-methoxy-4-propoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 54777189
5-(2,5-dimethylpyrrol-1-yl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 60573967
1-[(3-methoxy-4-propoxyphenyl)methylamino]-2-methylpropan-2-ol
CID 110932531
N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-ethylpyridin-1-ium-4-carboxamide
CID 19014561
N-[2-[(3-methoxy-4-propoxyphenyl)methylamino]ethyl]acetamide
CID 82364748
2-[(3-methoxy-4-propoxyphenyl)methylamino]ethanol
CID 29225754
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 39971450

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide (CID 87040686) is N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is CCCOc1ccc(CNC(=O)c2cnsn2)cc1OC.
What is the InChIKey of N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is PQTDHJGQLJECSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-3-6-20-12-5-4-10(7-13(12)19-2)8-15-14(18)11-9-16-21-17-11/h4-5,7,9H,3,6,8H2,1-2H3,(H,15,18).
What are the key properties of N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide?
N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-propoxyphenyl)methyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 87040686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).