(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C11H14N4O2S3 — CID 30208813

IUPAC(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCSc1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)s1
InChIInChI=1S/C11H14N4O2S3/c1-4-18-10-13-14-11(20-10)19-7(3)9(16)12-8-5-6(2)15-17-8/h5,7H,4H2,1-3H3,(H,12,16)/t7-/m1/s1
InChIKeyLAIGEIGOZAIKLD-SSDOTTSWSA-N
MW330.46 g/mol
LogP3.07
Rot. Bonds6

About (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 30208813) has the molecular formula C11H14N4O2S3 and a molecular weight of 330.46 g/mol. Its IUPAC name is (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID30208813
Molecular FormulaC11H14N4O2S3
Molecular Weight330.46 g/mol
Exact Mass330.03
IUPAC Name(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCSc1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)s1
InChIInChI=1S/C11H14N4O2S3/c1-4-18-10-13-14-11(20-10)19-7(3)9(16)12-8-5-6(2)15-17-8/h5,7H,4H2,1-3H3,(H,12,16)/t7-/m1/s1
InChIKeyLAIGEIGOZAIKLD-SSDOTTSWSA-N
XLogP3.07
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methyl-1,2-oxazol-5-yl)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 51321751
2-[[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]thiophene-3-carboxamide
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(2R)-N-(4-chlorophenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
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N-(1,3-benzodioxol-5-yl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 42976942
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-methoxyphenyl)propanamide
CID 8939799
N-(3-chloro-2-methylphenyl)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 84877731
(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)propanamide
CID 2661390
(2S)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9397243
N-(3-methyl-1,2-oxazol-5-yl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 51307138
(2S)-N-[2-(difluoromethoxy)phenyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 8940019
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 47028191
N-[4-[(2S)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]phenyl]-2-methylpropanamide
CID 9457650

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 30208813) is (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is CCSc1nnc(S[C@H](C)C(=O)Nc2cc(C)no2)s1.
What is the InChIKey of (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is LAIGEIGOZAIKLD-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H14N4O2S3/c1-4-18-10-13-14-11(20-10)19-7(3)9(16)12-8-5-6(2)15-17-8/h5,7H,4H2,1-3H3,(H,12,16)/t7-/m1/s1.
What are the key properties of (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
(2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 330.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 30208813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).