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

C15H18N2O2S — CID 645119

IUPACN-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N(CC)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C15H18N2O2S/c1-4-14(18)17(5-2)15-16-13(10-20-15)11-6-8-12(19-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyKFWSOMGPCXLBRB-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.58
Rot. Bonds5

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

N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 645119) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID645119
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)N(CC)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C15H18N2O2S/c1-4-14(18)17(5-2)15-16-13(10-20-15)11-6-8-12(19-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyKFWSOMGPCXLBRB-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide (CID 645119) is N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is CCC(=O)N(CC)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is KFWSOMGPCXLBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-4-14(18)17(5-2)15-16-13(10-20-15)11-6-8-12(19-3)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide?
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 290.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 645119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).