2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one

C10H9ClN2OS — CID 2841533

IUPAC2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(Cl)cc2)S1
InChIInChI=1S/C10H9ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyDTIQKHFEEDYBQY-UHFFFAOYSA-N
MW240.72 g/mol
LogP1.84
Rot. Bonds2

About 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one

2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one (PubChem CID 2841533) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one.

Molecular Properties

Compound Name2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one
PubChem CID2841533
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one
SMILESNC1=NC(=O)C(Cc2ccc(Cl)cc2)S1
InChIInChI=1S/C10H9ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14)
InChIKeyDTIQKHFEEDYBQY-UHFFFAOYSA-N
XLogP1.84
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 825146
2-[(4-Chlorophenyl)methylthio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135412054
5-(4-Fluoro-benzyl)-2-imino-thiazolidin-4-one
CID 2872834
2-Imino-5-(4-methylbenzyl)-1,3-thiazolidin-4-one
CID 2841532
2-Amino-5-[(2-methylphenyl)methyl]-1,3-thiazol-4-one
CID 2841517
2-(4-chlorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methylbutanamide
CID 4875224
5-(2-(4-Chlorophenyl)-2-oxoethyl)-2-imino-1,3-thiazolidin-4-one
CID 247102
1-[(2E)-5-benzyl-4-oxo-1,3-thiazolidin-2-ylidene]guanidine
CID 3157019
2-Imino-5-benzyl-1,3-thiazolidin-4-one
CID 2729442
(S)-2-(4-chlorophenyl)-N-(4,5-dihydrothiazol-2-yl)-3-methylbutanamide
CID 2520490
2-(2-chloro-6-fluorophenyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 2541496
6-amino-2-[(4-chlorobenzyl)sulfanyl]-5-phenyl-4(3H)-pyrimidinone
CID 135431420

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one?
The IUPAC name of 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one (CID 2841533) is 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one.
What is the SMILES notation for 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one?
The canonical SMILES for 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one is NC1=NC(=O)C(Cc2ccc(Cl)cc2)S1.
What is the InChIKey of 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one?
The InChIKey is DTIQKHFEEDYBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-7-3-1-6(2-4-7)5-8-9(14)13-10(12)15-8/h1-4,8H,5H2,(H2,12,13,14).
What are the key properties of 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one?
2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one has a molecular weight of 240.72 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-chlorophenyl)methyl]-1,3-thiazol-4-one is sourced from PubChem (CID 2841533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).