N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide

C6H5ClN2O2S — CID 130013822

IUPACN-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(Cl)c(C=O)s1
InChIInChI=1S/C6H5ClN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11)
InChIKeyCQLVPZFIAQITTK-UHFFFAOYSA-N
MW204.64 g/mol
LogP1.57
Rot. Bonds2

About N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide

N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide (PubChem CID 130013822) has the molecular formula C6H5ClN2O2S and a molecular weight of 204.64 g/mol. Its IUPAC name is N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide
PubChem CID130013822
Molecular FormulaC6H5ClN2O2S
Molecular Weight204.64 g/mol
Exact Mass203.98
IUPAC NameN-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1nc(Cl)c(C=O)s1
InChIInChI=1S/C6H5ClN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11)
InChIKeyCQLVPZFIAQITTK-UHFFFAOYSA-N
XLogP1.57
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.64
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide (CID 130013822) is N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1nc(Cl)c(C=O)s1.
What is the InChIKey of N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CQLVPZFIAQITTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2S/c1-3(11)8-6-9-5(7)4(2-10)12-6/h2H,1H3,(H,8,9,11).
What are the key properties of N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide?
N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 204.64 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-formyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 130013822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).