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

C7H9ClN2OS2 — CID 130616641

IUPAC2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide
SMILESCSc1sc(NC(=O)CCl)nc1C
InChIInChI=1S/C7H9ClN2OS2/c1-4-6(12-2)13-7(9-4)10-5(11)3-8/h3H2,1-2H3,(H,9,10,11)
InChIKeyKVNNVXNDGAKKNO-UHFFFAOYSA-N
MW236.75 g/mol
LogP2.35
Rot. Bonds3

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

2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide (PubChem CID 130616641) has the molecular formula C7H9ClN2OS2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide
PubChem CID130616641
Molecular FormulaC7H9ClN2OS2
Molecular Weight236.75 g/mol
Exact Mass235.98
IUPAC Name2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide
SMILESCSc1sc(NC(=O)CCl)nc1C
InChIInChI=1S/C7H9ClN2OS2/c1-4-6(12-2)13-7(9-4)10-5(11)3-8/h3H2,1-2H3,(H,9,10,11)
InChIKeyKVNNVXNDGAKKNO-UHFFFAOYSA-N
XLogP2.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Acetamido-4-chloromethylthiazole
CID 81963
2-Acetamido-4-methylthiazole-5-sulfonyl chloride
CID 96951
2-chloro-N-(dimethyl-1,3-thiazol-2-yl)acetamide
CID 842066
N-(5-Chloro-4-methyl-2-thiazolyl)propanamide
CID 84102
N-(5-Iodo-4-methyl-2-thiazolyl)acetamide
CID 57417074
N-(5-bromo-4-methyl-1,3-thiazol-2-yl)-2-chloroacetamide
CID 817032
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
2-Acetamido-4-methylthiomethylthiazole
CID 47263059
2-chloro-N-[5-iodo-4-(trifluoromethyl)-1,3-thiazol-2-yl]propanamide
CID 57021058
2,2,2-trichloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4286777
2-Acetamido-5-chloro-4-chloromethylthiazole
CID 20482441
2-chloro-N-[5-[[2-[(2-chloroacetyl)amino]-4-methyl-1,3-thiazol-5-yl]sulfanyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 71654480

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide (CID 130616641) is 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide is CSc1sc(NC(=O)CCl)nc1C.
What is the InChIKey of 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is KVNNVXNDGAKKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2OS2/c1-4-6(12-2)13-7(9-4)10-5(11)3-8/h3H2,1-2H3,(H,9,10,11).
What are the key properties of 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 236.75 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 130616641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).