N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide

C14H16N2OS — CID 735052

IUPACN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1
InChIInChI=1S/C14H16N2OS/c1-4-13(17)16-14-15-12(8-18-14)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyBJZLVGANCKWACX-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.78
Rot. Bonds3

About N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide

N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 735052) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID735052
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1
InChIInChI=1S/C14H16N2OS/c1-4-13(17)16-14-15-12(8-18-14)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyBJZLVGANCKWACX-UHFFFAOYSA-N
XLogP3.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3324498
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 4670180
N-[3-[[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 24630708
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196976
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19196570
2-(2,3-dimethylphenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7921782
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-2-naphthalen-2-ylsulfanylacetamide
CID 7402812
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 41273340
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
1-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-3-phenylurea
CID 4182966
2-(2,5-dimethylphenoxy)-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3310660
4-(4-chlorophenoxy)-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]butanamide
CID 19197142

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide (CID 735052) is N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is BJZLVGANCKWACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c1-4-13(17)16-14-15-12(8-18-14)11-7-9(2)5-6-10(11)3/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide?
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 260.36 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 735052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).