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

C14H16N2O2S — CID 838730

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C14H16N2O2S/c1-3-4-13(17)16-14-15-12(9-19-14)10-5-7-11(18-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyAMKCBBVDJCBSLE-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.56
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 838730) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
PubChem CID838730
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C14H16N2O2S/c1-3-4-13(17)16-14-15-12(9-19-14)10-5-7-11(18-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyAMKCBBVDJCBSLE-UHFFFAOYSA-N
XLogP3.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl)-2-methylpropanamide
CID 71543007
T16AInh-A01
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2-Amino-4-(4-methoxyphenyl)thiazole
CID 159644
4-(4-Phenoxy-phenyl)-thiazol-2-ylamine
CID 780598
ML277
CID 53347902
3-methoxy-N-(4-methylthiazol-2-yl)benzamide
CID 2679292
Tioxamast
CID 68927
4-(3,4-Dimethoxyphenyl)-1,3-thiazol-2-amine
CID 332397
4-(2-Methoxy-phenyl)-thiazol-2-ylamine
CID 735252
4-(3-Fluoro-4-methoxyphenyl)-2-thiazolamine
CID 2759006
4-(4-Methoxyphenyl)-5-methyl-1,3-thiazol-2-amine
CID 613228
4-Methoxy-N-(4-phenyl-2-thiazolyl)benzamide
CID 668712

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide (CID 838730) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is AMKCBBVDJCBSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-3-4-13(17)16-14-15-12(9-19-14)10-5-7-11(18-2)8-6-10/h5-9H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 276.36 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 838730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).