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

C15H18N2O2S — CID 784250

IUPACN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCOc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10(2)8-14(18)17-15-16-13(9-20-15)11-4-6-12(19-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyYKKLGIOJPIFCCH-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.80
Rot. Bonds5

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

N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (PubChem CID 784250) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
PubChem CID784250
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
SMILESCOc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1
InChIInChI=1S/C15H18N2O2S/c1-10(2)8-14(18)17-15-16-13(9-20-15)11-4-6-12(19-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,17,18)
InChIKeyYKKLGIOJPIFCCH-UHFFFAOYSA-N
XLogP3.80
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide (CID 784250) is N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide is COc1ccc(-c2csc(NC(=O)CC(C)C)n2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
The InChIKey is YKKLGIOJPIFCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10(2)8-14(18)17-15-16-13(9-20-15)11-4-6-12(19-3)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,17,18).
What are the key properties of N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide?
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide has a molecular weight of 290.39 g/mol, XLogP of 3.80, 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]-3-methylbutanamide is sourced from PubChem (CID 784250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).