[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C13H18N4OS3 — CID 71801031

IUPAC[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C13H18N4OS3/c1-9-11(21-16-15-9)12(18)17-5-2-10(3-6-17)8-20-13-14-4-7-19-13/h10H,2-8H2,1H3
InChIKeyWCRIRMWPNYHCCR-UHFFFAOYSA-N
MW342.52 g/mol
LogP2.53
Rot. Bonds3

About [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 71801031) has the molecular formula C13H18N4OS3 and a molecular weight of 342.52 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID71801031
Molecular FormulaC13H18N4OS3
Molecular Weight342.52 g/mol
Exact Mass342.06
IUPAC Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C13H18N4OS3/c1-9-11(21-16-15-9)12(18)17-5-2-10(3-6-17)8-20-13-14-4-7-19-13/h10H,2-8H2,1H3
InChIKeyWCRIRMWPNYHCCR-UHFFFAOYSA-N
XLogP2.53
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 71801031) is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(CSC2=NCCS2)CC1.
What is the InChIKey of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is WCRIRMWPNYHCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS3/c1-9-11(21-16-15-9)12(18)17-5-2-10(3-6-17)8-20-13-14-4-7-19-13/h10H,2-8H2,1H3.
What are the key properties of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 342.52 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 71801031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).