N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide

C14H16N2OS — CID 110679477

IUPACN-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1cscn1
InChIInChI=1S/C14H16N2OS/c1-10-4-3-5-11(2)14(10)16-13(17)7-6-12-8-18-9-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)
InChIKeyREWQQBSAARDNAP-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.33
Rot. Bonds4

About N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide

N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide (PubChem CID 110679477) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
PubChem CID110679477
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
SMILESCc1cccc(C)c1NC(=O)CCc1cscn1
InChIInChI=1S/C14H16N2OS/c1-10-4-3-5-11(2)14(10)16-13(17)7-6-12-8-18-9-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17)
InChIKeyREWQQBSAARDNAP-UHFFFAOYSA-N
XLogP3.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110857953
N-(2-chloro-4,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110859463
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397
N-(2,6-dimethylphenyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110418418
N-(5-chloro-2-hydroxy-3-methylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 56791821
N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 62045312
N-(2,6-dimethylphenyl)-2-[methyl-[[3-(1,3-thiazol-4-ylmethoxy)phenyl]carbamoyl]amino]acetamide
CID 56567860
2-(1,3-thiazol-4-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 54326383
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
N-(4-piperidin-1-ylphenyl)-3-(1,3-thiazol-4-yl)propanamide
CID 110679526
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide (CID 110679477) is N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide is Cc1cccc(C)c1NC(=O)CCc1cscn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
The InChIKey is REWQQBSAARDNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-10-4-3-5-11(2)14(10)16-13(17)7-6-12-8-18-9-15-12/h3-5,8-9H,6-7H2,1-2H3,(H,16,17).
What are the key properties of N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide?
N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide has a molecular weight of 260.36 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-3-(1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110679477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).