2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide

C14H16ClN3OS2 — CID 1235822

IUPAC2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C14H16ClN3OS2/c1-14(2,3)10-7-20-13(17-10)21-8-12(19)18-11-5-4-9(15)6-16-11/h4-7H,8H2,1-3H3,(H,16,18,19)
InChIKeyBTYNXWOIOHLARF-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.22
Rot. Bonds4

About 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide

2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (PubChem CID 1235822) has the molecular formula C14H16ClN3OS2 and a molecular weight of 341.89 g/mol. Its IUPAC name is 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
PubChem CID1235822
Molecular FormulaC14H16ClN3OS2
Molecular Weight341.89 g/mol
Exact Mass341.04
IUPAC Name2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
SMILESCC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
InChIInChI=1S/C14H16ClN3OS2/c1-14(2,3)10-7-20-13(17-10)21-8-12(19)18-11-5-4-9(15)6-16-11/h4-7H,8H2,1-3H3,(H,16,18,19)
InChIKeyBTYNXWOIOHLARF-UHFFFAOYSA-N
XLogP4.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The IUPAC name of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide (CID 1235822) is 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The canonical SMILES for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is CC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1.
What is the InChIKey of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
The InChIKey is BTYNXWOIOHLARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS2/c1-14(2,3)10-7-20-13(17-10)21-8-12(19)18-11-5-4-9(15)6-16-11/h4-7H,8H2,1-3H3,(H,16,18,19).
What are the key properties of 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide?
2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide has a molecular weight of 341.89 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-1,3-thiazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide is sourced from PubChem (CID 1235822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).