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

C16H21N3O2S — CID 110397933

IUPAC3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCNc1nc(CCNC(=O)CCc2ccccc2OC)cs1
InChIInChI=1S/C16H21N3O2S/c1-17-16-19-13(11-22-16)9-10-18-15(20)8-7-12-5-3-4-6-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBSYAHJMBPJYRIP-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.48
Rot. Bonds8

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

3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 110397933) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID110397933
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCNc1nc(CCNC(=O)CCc2ccccc2OC)cs1
InChIInChI=1S/C16H21N3O2S/c1-17-16-19-13(11-22-16)9-10-18-15(20)8-7-12-5-3-4-6-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyBSYAHJMBPJYRIP-UHFFFAOYSA-N
XLogP2.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18567652
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]propanamide
CID 110718606
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
N-[2-(2-methoxyphenyl)ethyl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 110388443
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-3,3-diphenylpropanamide
CID 110397871
3,5-dimethoxy-N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 26841940
3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 110718437
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2,2-diphenylacetamide
CID 110397867
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(2-methoxyphenyl)propanamide
CID 110727983
N-[2-(2-methoxyphenyl)ethyl]-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648445
N-[4-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-oxo-3H-pyridine-3-carboxamide
CID 74825048

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide (CID 110397933) is 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide is CNc1nc(CCNC(=O)CCc2ccccc2OC)cs1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is BSYAHJMBPJYRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-17-16-19-13(11-22-16)9-10-18-15(20)8-7-12-5-3-4-6-14(12)21-2/h3-6,11H,7-10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide?
3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 319.43 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 110397933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).