N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide

C14H16N4O3S2 — CID 27987268

IUPACN-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide
SMILESCCNc1nnc(SCC(=O)NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H16N4O3S2/c1-3-15-13-17-18-14(23-13)22-8-11(19)16-12(20)9-4-6-10(21-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,17)(H,16,19,20)
InChIKeyWRWPMEBEQWORKX-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.03
Rot. Bonds7

About N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide

N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide (PubChem CID 27987268) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide
PubChem CID27987268
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC NameN-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide
SMILESCCNc1nnc(SCC(=O)NC(=O)c2ccc(OC)cc2)s1
InChIInChI=1S/C14H16N4O3S2/c1-3-15-13-17-18-14(23-13)22-8-11(19)16-12(20)9-4-6-10(21-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,17)(H,16,19,20)
InChIKeyWRWPMEBEQWORKX-UHFFFAOYSA-N
XLogP2.03
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide with MolForge

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Related Compounds

4-methoxy-N-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]benzamide
CID 16517802
N-carbamoyl-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9379533
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 735257
N-[5-(2-anilino-2-oxoethyl)sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 5187790
4-ethoxy-N-[5-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 3643793
N-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 12508301
N-[5-[2-(2-chloroanilino)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
CID 980224
2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2659146
2-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 897625
2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 2608166
4-methoxy-N-[5-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]benzamide
CID 43814601
N-[(2,3-dimethylphenyl)carbamoyl]-2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 9475779

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide (CID 27987268) is N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide is CCNc1nnc(SCC(=O)NC(=O)c2ccc(OC)cc2)s1.
What is the InChIKey of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide?
The InChIKey is WRWPMEBEQWORKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-3-15-13-17-18-14(23-13)22-8-11(19)16-12(20)9-4-6-10(21-2)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,17)(H,16,19,20).
What are the key properties of N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide?
N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide has a molecular weight of 352.44 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]-4-methoxybenzamide is sourced from PubChem (CID 27987268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).