N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide

C15H18N4O2S2 — CID 9380271

IUPACN-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide
SMILESCNc1nnc(SCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)s1
InChIInChI=1S/C15H18N4O2S2/c1-9(17-10(2)20)11-4-6-12(7-5-11)13(21)8-22-15-19-18-14(16-3)23-15/h4-7,9H,8H2,1-3H3,(H,16,18)(H,17,20)/t9-/m0/s1
InChIKeyWHHZNSWRNOHCIF-VIFPVBQESA-N
MW350.47 g/mol
LogP2.75
Rot. Bonds7

About N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide

N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide (PubChem CID 9380271) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide
PubChem CID9380271
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC NameN-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide
SMILESCNc1nnc(SCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)s1
InChIInChI=1S/C15H18N4O2S2/c1-9(17-10(2)20)11-4-6-12(7-5-11)13(21)8-22-15-19-18-14(16-3)23-15/h4-7,9H,8H2,1-3H3,(H,16,18)(H,17,20)/t9-/m0/s1
InChIKeyWHHZNSWRNOHCIF-VIFPVBQESA-N
XLogP2.75
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[4-[2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 24522380
N-[1-[4-[2-[[5-[acetyl(cyclopropyl)amino]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 24630370
N-[5-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
CID 12508301
N-[4-[2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]acetamide
CID 8873910
N-[5-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 4237759
1-[4-[(2R)-butan-2-yl]phenyl]-2-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7863538
1-[4-[(2S)-butan-2-yl]phenyl]-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 7863053
N-[4-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]phenyl]acetamide
CID 7692278
2-[(5-anilino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 2487356
N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 4276006
N-[(1S)-1-[4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]ethyl]acetamide
CID 9325831
N-[[4-[2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]methyl]acetamide
CID 9487503

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide?
The IUPAC name of N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide (CID 9380271) is N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide is CNc1nnc(SCC(=O)c2ccc([C@H](C)NC(C)=O)cc2)s1.
What is the InChIKey of N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide?
The InChIKey is WHHZNSWRNOHCIF-VIFPVBQESA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-9(17-10(2)20)11-4-6-12(7-5-11)13(21)8-22-15-19-18-14(16-3)23-15/h4-7,9H,8H2,1-3H3,(H,16,18)(H,17,20)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide?
N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-[2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]phenyl]ethyl]acetamide is sourced from PubChem (CID 9380271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).