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

C14H16N2O2S3 — CID 111484821

IUPACN-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C14H16N2O2S3/c17-12(16-9-14(18)2-5-19-6-3-14)11-7-15-13(21-11)10-1-4-20-8-10/h1,4,7-8,18H,2-3,5-6,9H2,(H,16,17)
InChIKeyXNOILHOASYIPRY-UHFFFAOYSA-N
MW340.50 g/mol
LogP2.86
Rot. Bonds4

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

N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 111484821) has the molecular formula C14H16N2O2S3 and a molecular weight of 340.50 g/mol. Its IUPAC name is N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
PubChem CID111484821
Molecular FormulaC14H16N2O2S3
Molecular Weight340.50 g/mol
Exact Mass340.04
IUPAC NameN-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(O)CCSCC1)c1cnc(-c2ccsc2)s1
InChIInChI=1S/C14H16N2O2S3/c17-12(16-9-14(18)2-5-19-6-3-14)11-7-15-13(21-11)10-1-4-20-8-10/h1,4,7-8,18H,2-3,5-6,9H2,(H,16,17)
InChIKeyXNOILHOASYIPRY-UHFFFAOYSA-N
XLogP2.86
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide (CID 111484821) is N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is O=C(NCC1(O)CCSCC1)c1cnc(-c2ccsc2)s1.
What is the InChIKey of N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is XNOILHOASYIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S3/c17-12(16-9-14(18)2-5-19-6-3-14)11-7-15-13(21-11)10-1-4-20-8-10/h1,4,7-8,18H,2-3,5-6,9H2,(H,16,17).
What are the key properties of N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide?
N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 340.50 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxythian-4-yl)methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 111484821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).