N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide

C12H15ClN2OS — CID 115699481

IUPACN-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2OS/c13-10-1-4-14-11(8-10)15-12(16)7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7H2,(H,14,15,16)
InChIKeyLULILJGQYSORSN-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.21
Rot. Bonds3

About N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide

N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide (PubChem CID 115699481) has the molecular formula C12H15ClN2OS and a molecular weight of 270.78 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
PubChem CID115699481
Molecular FormulaC12H15ClN2OS
Molecular Weight270.78 g/mol
Exact Mass270.06
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
SMILESO=C(CC1CCSCC1)Nc1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2OS/c13-10-1-4-14-11(8-10)15-12(16)7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7H2,(H,14,15,16)
InChIKeyLULILJGQYSORSN-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 103943582
N-[4-(4-hydroxybut-1-ynyl)-2-pyridinyl]-2-(thian-4-yl)acetamide
CID 102821142
N-(2-amino-4-chlorophenyl)-2-(thian-4-yl)acetamide
CID 83145566
N-(6-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide
CID 115700351
N-(4-bromo-2-pyridinyl)-2-cyclobutylacetamide
CID 102674085
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
1-(4-chloro-2-pyridinyl)-3-cyclopentylurea
CID 108902776
3-[[2-(thian-4-yl)acetyl]amino]pyrazine-2-carboxylic acid
CID 83146201
N-(3-chloroquinoxalin-2-yl)-2-(thian-4-yl)acetamide
CID 103769444
N-(5-bromopyrazin-2-yl)-2-(thian-4-yl)acetamide
CID 80709427
1-(4-chloro-2-pyridinyl)-3-(oxan-4-ylmethyl)urea
CID 108913035
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide (CID 115699481) is N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide is O=C(CC1CCSCC1)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
The InChIKey is LULILJGQYSORSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2OS/c13-10-1-4-14-11(8-10)15-12(16)7-9-2-5-17-6-3-9/h1,4,8-9H,2-3,5-7H2,(H,14,15,16).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide?
N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide has a molecular weight of 270.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(thian-4-yl)acetamide is sourced from PubChem (CID 115699481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).