2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

C17H20ClN3O2S — CID 60547951

IUPAC2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESCC(C)c1nc(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cs1
InChIInChI=1S/C17H20ClN3O2S/c1-10(2)16-20-12(9-24-16)8-15(22)19-11-5-6-14(18)13(7-11)17(23)21(3)4/h5-7,9-10H,8H2,1-4H3,(H,19,22)
InChIKeyJALDCVFDUCAEJY-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.80
Rot. Bonds5

About 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide

2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide (PubChem CID 60547951) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
PubChem CID60547951
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide
SMILESCC(C)c1nc(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cs1
InChIInChI=1S/C17H20ClN3O2S/c1-10(2)16-20-12(9-24-16)8-15(22)19-11-5-6-14(18)13(7-11)17(23)21(3)4/h5-7,9-10H,8H2,1-4H3,(H,19,22)
InChIKeyJALDCVFDUCAEJY-UHFFFAOYSA-N
XLogP3.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dichlorophenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38886003
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38921105
2-chloro-N,N-dimethyl-5-[[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzamide
CID 55674815
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 46453433
2-chloro-N-ethyl-4-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 131937813
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
N-(5-methyl-2-pyridinyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 39718552
N-(2,5-dimethylphenyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38884969
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38925497
N-benzhydryl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 38900998
2-chloro-4-[[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]amino]benzoic acid
CID 71916844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide (CID 60547951) is 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide is CC(C)c1nc(CC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)cs1.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
The InChIKey is JALDCVFDUCAEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-10(2)16-20-12(9-24-16)8-15(22)19-11-5-6-14(18)13(7-11)17(23)21(3)4/h5-7,9-10H,8H2,1-4H3,(H,19,22).
What are the key properties of 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide?
2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide has a molecular weight of 365.89 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]amino]benzamide is sourced from PubChem (CID 60547951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).