2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide

C17H20N2O2S2 — CID 71922016

IUPAC2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1cnc(Cc2ccccc2)s1
InChIInChI=1S/C17H20N2O2S2/c20-16(19-12-17(21)6-8-22-9-7-17)14-11-18-15(23-14)10-13-4-2-1-3-5-13/h1-5,11,21H,6-10,12H2,(H,19,20)
InChIKeyDGJMIKFWGAPQOL-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.72
Rot. Bonds5

About 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide

2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 71922016) has the molecular formula C17H20N2O2S2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID71922016
Molecular FormulaC17H20N2O2S2
Molecular Weight348.49 g/mol
Exact Mass348.10
IUPAC Name2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1cnc(Cc2ccccc2)s1
InChIInChI=1S/C17H20N2O2S2/c20-16(19-12-17(21)6-8-22-9-7-17)14-11-18-15(23-14)10-13-4-2-1-3-5-13/h1-5,11,21H,6-10,12H2,(H,19,20)
InChIKeyDGJMIKFWGAPQOL-UHFFFAOYSA-N
XLogP2.72
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 111485009
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 111484821
1-(2-benzylphenyl)-3-[(3-hydroxythiolan-3-yl)methyl]urea
CID 111614647
2-bromo-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 71989703
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
N-[(4-hydroxythian-4-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 111486579
N-[(3-hydroxythiolan-3-yl)methyl]thiadiazole-5-carboxamide
CID 166208940
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
N-[(4-hydroxythian-4-yl)methyl]-2-methylpyridine-3-carboxamide
CID 111484670
N-[(4-hydroxythian-4-yl)methyl]-3-phenylprop-2-ynamide
CID 111595874
2-[(4-phenoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 141096426
4-ethyl-N-[(4-hydroxythian-4-yl)methyl]benzamide
CID 111484723

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 71922016) is 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide is O=C(NCC1(O)CCSCC1)c1cnc(Cc2ccccc2)s1.
What is the InChIKey of 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DGJMIKFWGAPQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S2/c20-16(19-12-17(21)6-8-22-9-7-17)14-11-18-15(23-14)10-13-4-2-1-3-5-13/h1-5,11,21H,6-10,12H2,(H,19,20).
What are the key properties of 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71922016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).