N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide

C16H20N2OS — CID 3681052

IUPACN-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C16H20N2OS/c1-4-5-15(19)18-16-17-14(10-20-16)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBZDYSTLYTJZOFU-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.67
Rot. Bonds5

About N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide

N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 3681052) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID3681052
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC NameN-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1
InChIInChI=1S/C16H20N2OS/c1-4-5-15(19)18-16-17-14(10-20-16)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyBZDYSTLYTJZOFU-UHFFFAOYSA-N
XLogP4.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]butanamide
CID 704241
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 43951183
N,N'-bis[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]pentanediamide
CID 4582028
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484
5-[[4-[4-[(2S)-butan-2-yl]phenyl]-1,3-thiazol-2-yl]amino]-5-oxopentanoate
CID 6974874
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-4-chlorobutanamide
CID 4129995
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 24657607
N-ethyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 55027194
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]decanamide
CID 4302943
N-[4-[4-[methyl(methylsulfonyl)amino]phenyl]-1,3-thiazol-2-yl]butanamide
CID 17412659
2-acetamido-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]propanamide
CID 75869192
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide (CID 3681052) is N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(C(C)C)cc2)cs1.
What is the InChIKey of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is BZDYSTLYTJZOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-5-15(19)18-16-17-14(10-20-16)13-8-6-12(7-9-13)11(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide?
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 288.42 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 3681052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).