N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide

C14H14Cl2N2OS — CID 6488302

IUPACN-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(2)13(19)18-14-17-7-12(20-14)5-9-3-10(15)6-11(16)4-9/h3-4,6-8H,5H2,1-2H3,(H,17,18,19)
InChIKeySMQJBZKOXOCPHM-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.64
Rot. Bonds4

About N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide

N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 6488302) has the molecular formula C14H14Cl2N2OS and a molecular weight of 329.25 g/mol. Its IUPAC name is N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID6488302
Molecular FormulaC14H14Cl2N2OS
Molecular Weight329.25 g/mol
Exact Mass328.02
IUPAC NameN-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C14H14Cl2N2OS/c1-8(2)13(19)18-14-17-7-12(20-14)5-9-3-10(15)6-11(16)4-9/h3-4,6-8H,5H2,1-2H3,(H,17,18,19)
InChIKeySMQJBZKOXOCPHM-UHFFFAOYSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 6488306
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43045656
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 727735
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827722
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
2-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 24647201
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
2-(4-tert-butylphenoxy)-N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18836221
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methylanilino)acetamide
CID 2239853
2-chloro-N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4969221
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-cyanophenoxy)propanamide
CID 46693319

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide (CID 6488302) is N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide is CC(C)C(=O)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is SMQJBZKOXOCPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2OS/c1-8(2)13(19)18-14-17-7-12(20-14)5-9-3-10(15)6-11(16)4-9/h3-4,6-8H,5H2,1-2H3,(H,17,18,19).
What are the key properties of N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 329.25 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 6488302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).