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

C14H18N2OS3 — CID 71801039

IUPAC[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C14H18N2OS3/c17-13(12-3-7-18-10-12)16-5-1-11(2-6-16)9-20-14-15-4-8-19-14/h3,7,10-11H,1-2,4-6,8-9H2
InChIKeyCKRMYGMFGZRJNT-UHFFFAOYSA-N
MW326.51 g/mol
LogP3.44
Rot. Bonds3

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

[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 71801039) has the molecular formula C14H18N2OS3 and a molecular weight of 326.51 g/mol. Its IUPAC name is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID71801039
Molecular FormulaC14H18N2OS3
Molecular Weight326.51 g/mol
Exact Mass326.06
IUPAC Name[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC(CSC2=NCCS2)CC1
InChIInChI=1S/C14H18N2OS3/c17-13(12-3-7-18-10-12)16-5-1-11(2-6-16)9-20-14-15-4-8-19-14/h3,7,10-11H,1-2,4-6,8-9H2
InChIKeyCKRMYGMFGZRJNT-UHFFFAOYSA-N
XLogP3.44
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.51
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-thiophen-3-ylmethanone?
The IUPAC name of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 71801039) is [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC(CSC2=NCCS2)CC1.
What is the InChIKey of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is CKRMYGMFGZRJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS3/c17-13(12-3-7-18-10-12)16-5-1-11(2-6-16)9-20-14-15-4-8-19-14/h3,7,10-11H,1-2,4-6,8-9H2.
What are the key properties of [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 326.51 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 71801039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).