3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide

C16H20N2O3S — CID 126822471

IUPAC3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)C(C)NC(=O)c2cc(OC)ns2)cc1
InChIInChI=1S/C16H20N2O3S/c1-10(12-5-7-13(20-3)8-6-12)11(2)17-16(19)14-9-15(21-4)18-22-14/h5-11H,1-4H3,(H,17,19)
InChIKeyYPLBKADLWADYGS-UHFFFAOYSA-N
MW320.41 g/mol
LogP3.08
Rot. Bonds6

About 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide

3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide (PubChem CID 126822471) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide
PubChem CID126822471
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide
SMILESCOc1ccc(C(C)C(C)NC(=O)c2cc(OC)ns2)cc1
InChIInChI=1S/C16H20N2O3S/c1-10(12-5-7-13(20-3)8-6-12)11(2)17-16(19)14-9-15(21-4)18-22-14/h5-11H,1-4H3,(H,17,19)
InChIKeyYPLBKADLWADYGS-UHFFFAOYSA-N
XLogP3.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 154459065
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1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
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N-[1-(4-methoxyphenyl)-2-methylpropyl]-5-methylthiophene-2-carboxamide
CID 60605702
2-(aminomethyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 81363190
2-(furan-3-yl)-N-[3-(4-methoxyphenyl)butan-2-yl]acetamide
CID 126810206
3-(4-methoxyphenyl)butan-2-amine;hydrochloride
CID 170910507
2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 84575899
CID 88961149
CID 88961149
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N-[1-(3-methoxy-1,2-thiazol-5-yl)ethyl]acetamide
CID 157037131
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CID 80624604

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide?
The IUPAC name of 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide (CID 126822471) is 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide is COc1ccc(C(C)C(C)NC(=O)c2cc(OC)ns2)cc1.
What is the InChIKey of 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide?
The InChIKey is YPLBKADLWADYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-10(12-5-7-13(20-3)8-6-12)11(2)17-16(19)14-9-15(21-4)18-22-14/h5-11H,1-4H3,(H,17,19).
What are the key properties of 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide?
3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-(4-methoxyphenyl)butan-2-yl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 126822471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).