2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

C15H20N4O2S2 — CID 18138899

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CSCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N4O2S2/c1-11-13(12(2)21-17-11)9-22-10-14(20)18-4-6-19(7-5-18)15-16-3-8-23-15/h3,8H,4-7,9-10H2,1-2H3
InChIKeyCJENTSGTSDWYGB-UHFFFAOYSA-N
MW352.49 g/mol
LogP2.33
Rot. Bonds5

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 18138899) has the molecular formula C15H20N4O2S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
PubChem CID18138899
Molecular FormulaC15H20N4O2S2
Molecular Weight352.49 g/mol
Exact Mass352.10
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
SMILESCc1noc(C)c1CSCC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C15H20N4O2S2/c1-11-13(12(2)21-17-11)9-22-10-14(20)18-4-6-19(7-5-18)15-16-3-8-23-15/h3,8H,4-7,9-10H2,1-2H3
InChIKeyCJENTSGTSDWYGB-UHFFFAOYSA-N
XLogP2.33
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-Amino-5-thio-substituted thiazole 66
CID 5329702
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2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
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(3,5-Dimethyl-1,2-oxazol-4-yl)-[9-(1,3-thiazol-2-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3234212
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
CID 47866276
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-1-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanamine
CID 53527502
(3,5-Dimethyl-1,2-oxazol-4-yl)-[4-(4-methyl-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 56819128
1-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-9-(1,3-thiazol-2-yl)-4-oxa-1,9-diazaspiro[5.5]undecane
CID 97396333
4-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-8-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739726
8-[(3,5-Dimethyl-1,2-oxazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118743433
2-(3,5-dimethylisoxazol-4-yl)-N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)acetamide
CID 76148879
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 8892098

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone (CID 18138899) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is Cc1noc(C)c1CSCC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is CJENTSGTSDWYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S2/c1-11-13(12(2)21-17-11)9-22-10-14(20)18-4-6-19(7-5-18)15-16-3-8-23-15/h3,8H,4-7,9-10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 352.49 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 18138899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).