N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide

C16H20N2OS — CID 9356294

IUPACN-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-10-14(17-11(2)20-10)12-6-8-13(9-7-12)18-15(19)16(3,4)5/h6-9H,1-5H3,(H,18,19)
InChIKeyCCLYHMDRQIERGX-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.41
Rot. Bonds2

About N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide

N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide (PubChem CID 9356294) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
PubChem CID9356294
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide
SMILESCc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C)s1
InChIInChI=1S/C16H20N2OS/c1-10-14(17-11(2)20-10)12-6-8-13(9-7-12)18-15(19)16(3,4)5/h6-9H,1-5H3,(H,18,19)
InChIKeyCCLYHMDRQIERGX-UHFFFAOYSA-N
XLogP4.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[4-(5-methyl-2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]propanamide
CID 8750603
2,2-dimethyl-N-[4-[5-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]phenyl]propanamide
CID 9356426
methyl 6-[[4-[4-(2,2-dimethylpropanoylamino)phenyl]-5-methyl-1,3-thiazol-2-yl]amino]hexanoate
CID 9422564
N-[4-[5-methyl-2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 9356378
3-chloro-2,2-dimethyl-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769918
2-[4-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 39163891
2,2,2-trifluoro-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 108769917
N-[5-amino-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 82342260
2-methyl-N-[4-[5-methyl-2-(2-methylpropylamino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 9343336
N-[4-[2,6-bis[4-(2,2-dimethylpropanoylamino)phenyl]pyrimidin-4-yl]phenyl]-2,2-dimethylpropanamide
CID 2835770
2-amino-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-methylpropanamide
CID 119266982
N-[2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 134028765

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide (CID 9356294) is N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide is Cc1nc(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C)s1.
What is the InChIKey of N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide?
The InChIKey is CCLYHMDRQIERGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-10-14(17-11(2)20-10)12-6-8-13(9-7-12)18-15(19)16(3,4)5/h6-9H,1-5H3,(H,18,19).
What are the key properties of N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide?
N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide has a molecular weight of 288.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1,3-thiazol-4-yl)phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 9356294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).