2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide

C15H11ClN4OS — CID 52827861

IUPAC2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
SMILESN#CCN(CC#N)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H11ClN4OS/c16-13-4-2-1-3-12(13)15-19-11(10-22-15)9-14(21)20(7-5-17)8-6-18/h1-4,10H,7-9H2
InChIKeyWWPAVQHAQCTIHD-UHFFFAOYSA-N
MW330.80 g/mol
LogP2.88
Rot. Bonds5

About 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide (PubChem CID 52827861) has the molecular formula C15H11ClN4OS and a molecular weight of 330.80 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
PubChem CID52827861
Molecular FormulaC15H11ClN4OS
Molecular Weight330.80 g/mol
Exact Mass330.03
IUPAC Name2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide
SMILESN#CCN(CC#N)C(=O)Cc1csc(-c2ccccc2Cl)n1
InChIInChI=1S/C15H11ClN4OS/c16-13-4-2-1-3-12(13)15-19-11(10-22-15)9-14(21)20(7-5-17)8-6-18/h1-4,10H,7-9H2
InChIKeyWWPAVQHAQCTIHD-UHFFFAOYSA-N
XLogP2.88
TPSA80.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.80
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 134055357
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55387721
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 31641686
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 51206974
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 39084510
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methoxyacetamide
CID 51279381
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 86907201
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(4-methoxyphenoxy)ethyl]-N-methylacetamide
CID 31285188
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39966421
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-methylphenyl)acetamide
CID 7667740

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide (CID 52827861) is 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide is N#CCN(CC#N)C(=O)Cc1csc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide?
The InChIKey is WWPAVQHAQCTIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4OS/c16-13-4-2-1-3-12(13)15-19-11(10-22-15)9-14(21)20(7-5-17)8-6-18/h1-4,10H,7-9H2.
What are the key properties of 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide?
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide has a molecular weight of 330.80 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N,N-bis(cyanomethyl)acetamide is sourced from PubChem (CID 52827861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).