N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C19H25N3O2S — CID 110614302

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCN(CCC1CCCCO1)C(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H25N3O2S/c1-22(12-9-17-4-2-3-13-24-17)18(23)6-5-16-14-25-19(21-16)15-7-10-20-11-8-15/h7-8,10-11,14,17H,2-6,9,12-13H2,1H3
InChIKeyOUCSMLSECODZEI-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.56
Rot. Bonds7

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

N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110614302) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110614302
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCN(CCC1CCCCO1)C(=O)CCc1csc(-c2ccncc2)n1
InChIInChI=1S/C19H25N3O2S/c1-22(12-9-17-4-2-3-13-24-17)18(23)6-5-16-14-25-19(21-16)15-7-10-20-11-8-15/h7-8,10-11,14,17H,2-6,9,12-13H2,1H3
InChIKeyOUCSMLSECODZEI-UHFFFAOYSA-N
XLogP3.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110614300
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 110333448
N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329767
3-[methyl-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 82032610
N-methyl-2-[[(2R)-oxan-2-yl]methoxy]-N-(2-pyridin-4-ylethyl)acetamide
CID 99933824
5-[methyl-[2-[(2S)-oxan-2-yl]ethyl]amino]-5-oxopentanoic acid
CID 126440241
4-(3,4-dimethylphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]-4-oxobutanamide
CID 110614236
3-fluoro-N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]pyridine-4-carboxamide
CID 99972449
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252
N-methyl-N-[2-[(2R)-oxan-2-yl]ethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96579479
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110614302) is N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is CN(CCC1CCCCO1)C(=O)CCc1csc(-c2ccncc2)n1.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is OUCSMLSECODZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(12-9-17-4-2-3-13-24-17)18(23)6-5-16-14-25-19(21-16)15-7-10-20-11-8-15/h7-8,10-11,14,17H,2-6,9,12-13H2,1H3.
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 359.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110614302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).