N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C19H17ClN4O2S — CID 26841666

IUPACN-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccccc1
InChIInChI=1S/C19H17ClN4O2S/c20-14-7-4-8-15(9-14)22-18(26)24-19-23-16(12-27-19)10-17(25)21-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,25)(H2,22,23,24,26)
InChIKeyMNLQOQCYPFORME-UHFFFAOYSA-N
MW400.89 g/mol
LogP4.30
Rot. Bonds6

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

N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 26841666) has the molecular formula C19H17ClN4O2S and a molecular weight of 400.89 g/mol. Its IUPAC name is N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID26841666
Molecular FormulaC19H17ClN4O2S
Molecular Weight400.89 g/mol
Exact Mass400.08
IUPAC NameN-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccccc1
InChIInChI=1S/C19H17ClN4O2S/c20-14-7-4-8-15(9-14)22-18(26)24-19-23-16(12-27-19)10-17(25)21-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,25)(H2,22,23,24,26)
InChIKeyMNLQOQCYPFORME-UHFFFAOYSA-N
XLogP4.30
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.89
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 27377318
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methoxyphenyl)acetamide
CID 26841689
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30940383
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[4-(dimethylamino)phenyl]acetamide
CID 18567623
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethylphenyl)acetamide
CID 26841697
2-[(3-chlorophenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-4-carboxamide
CID 16948837
2-[(3-chlorophenyl)carbamoylamino]-N-(3-phenylpropyl)-1,3-thiazole-4-carboxamide
CID 16948802
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 18567626
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 41159444
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 16799409

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 26841666) is N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is MNLQOQCYPFORME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2S/c20-14-7-4-8-15(9-14)22-18(26)24-19-23-16(12-27-19)10-17(25)21-11-13-5-2-1-3-6-13/h1-9,12H,10-11H2,(H,21,25)(H2,22,23,24,26).
What are the key properties of N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 400.89 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 26841666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).