N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

C14H15ClN2OS — CID 19194860

IUPACN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1sc(NC(=O)C(C)C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-8(2)13(18)17-14-16-12(9(3)19-14)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyJIAHVXTXNFWCPY-UHFFFAOYSA-N
MW294.81 g/mol
LogP4.37
Rot. Bonds3

About N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide

N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (PubChem CID 19194860) has the molecular formula C14H15ClN2OS and a molecular weight of 294.81 g/mol. Its IUPAC name is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
PubChem CID19194860
Molecular FormulaC14H15ClN2OS
Molecular Weight294.81 g/mol
Exact Mass294.06
IUPAC NameN-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
SMILESCc1sc(NC(=O)C(C)C)nc1-c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2OS/c1-8(2)13(18)17-14-16-12(9(3)19-14)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,16,17,18)
InChIKeyJIAHVXTXNFWCPY-UHFFFAOYSA-N
XLogP4.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-5-[[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-methyl-5-oxopentanoic acid
CID 27519165
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 4140632
2-(4-chlorophenoxy)-N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19196435
(2R)-N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
CID 25495361
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 4615365
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197427
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(4-phenylphenoxy)acetamide
CID 19196756
2-(4-chlorophenyl)-3-methyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanamide
CID 4868536
2-amino-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)propanamide
CID 74077409
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 19195112
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The IUPAC name of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide (CID 19194860) is N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is Cc1sc(NC(=O)C(C)C)nc1-c1cccc(Cl)c1.
What is the InChIKey of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
The InChIKey is JIAHVXTXNFWCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2OS/c1-8(2)13(18)17-14-16-12(9(3)19-14)10-5-4-6-11(15)7-10/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide?
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide has a molecular weight of 294.81 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide is sourced from PubChem (CID 19194860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).