N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide

C18H24N4O4S — CID 17191796

IUPACN-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCCCCc1nnc(NC(=O)CCNC(=O)c2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C18H24N4O4S/c1-4-5-6-16-21-22-18(27-16)20-15(23)7-8-19-17(24)12-9-13(25-2)11-14(10-12)26-3/h9-11H,4-8H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKeyCSMZGSQWCSTEIO-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.66
Rot. Bonds10

About N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide

N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide (PubChem CID 17191796) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
PubChem CID17191796
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide
SMILESCCCCc1nnc(NC(=O)CCNC(=O)c2cc(OC)cc(OC)c2)s1
InChIInChI=1S/C18H24N4O4S/c1-4-5-6-16-21-22-18(27-16)20-15(23)7-8-19-17(24)12-9-13(25-2)11-14(10-12)26-3/h9-11H,4-8H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKeyCSMZGSQWCSTEIO-UHFFFAOYSA-N
XLogP2.66
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 22830189
3,5-dimethoxy-N-[3-[[5-(2-methoxyethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 17191795
N-[2-[5-(3-chloropropanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-3-methoxybenzamide
CID 94831015
N-[3-[(5-benzyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226238
N-[3-[[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 17154560
N-[3-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226237
N-(5-pentyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 2197904
N-(5-pentyl-1,3,4-thiadiazol-2-yl)butanamide
CID 4629599
3-methoxy-N-[3-oxo-3-[(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)amino]propyl]benzamide
CID 17226256
4-methoxy-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide
CID 3099855
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(2,5-dimethoxyphenyl)acetamide
CID 78804101
N-[2-[(5-butyl-1,3,4-thiadiazol-2-yl)carbamoylamino]ethyl]-3,4-dichlorobenzamide
CID 86987400

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide (CID 17191796) is N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide is CCCCc1nnc(NC(=O)CCNC(=O)c2cc(OC)cc(OC)c2)s1.
What is the InChIKey of N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
The InChIKey is CSMZGSQWCSTEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-5-6-16-21-22-18(27-16)20-15(23)7-8-19-17(24)12-9-13(25-2)11-14(10-12)26-3/h9-11H,4-8H2,1-3H3,(H,19,24)(H,20,22,23).
What are the key properties of N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide?
N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 17191796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).