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

C19H25N3O2S — CID 110614300

IUPACN-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCN(CCC1CCCCO1)C(=O)CCc1csc(-c2ccccn2)n1
InChIInChI=1S/C19H25N3O2S/c1-22(12-10-16-6-3-5-13-24-16)18(23)9-8-15-14-25-19(21-15)17-7-2-4-11-20-17/h2,4,7,11,14,16H,3,5-6,8-10,12-13H2,1H3
InChIKeyCXDGXDSOBJSCCB-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.56
Rot. Bonds7

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

N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110614300) 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-2-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110614300
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
SMILESCN(CCC1CCCCO1)C(=O)CCc1csc(-c2ccccn2)n1
InChIInChI=1S/C19H25N3O2S/c1-22(12-10-16-6-3-5-13-24-16)18(23)9-8-15-14-25-19(21-15)17-7-2-4-11-20-17/h2,4,7,11,14,16H,3,5-6,8-10,12-13H2,1H3
InChIKeyCXDGXDSOBJSCCB-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-4-yl-1,3-thiazol-4-yl)propanamide
CID 110614302
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
N-methyl-N-(2-pyridin-4-ylethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329767
N-methyl-N-(2-pyridin-2-ylethyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 134017603
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110633933
N-[2-(dimethylamino)ethyl]-N-methyl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 46981951
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110629694
3-(3-hydroxyphenyl)-N-methyl-N-[2-(oxan-2-yl)ethyl]propanamide
CID 77086969
N-(cyclopentylmethyl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110627595
1-(2-methylmorpholin-4-yl)-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propan-1-one
CID 110631362
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]oxolane-2-carboxamide
CID 108748806
3-(2-methoxyphenyl)-N-methyl-N-[2-[(2R)-oxolan-2-yl]ethyl]propanamide
CID 99790252

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide (CID 110614300) is N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide is CN(CCC1CCCCO1)C(=O)CCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is CXDGXDSOBJSCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-22(12-10-16-6-3-5-13-24-16)18(23)9-8-15-14-25-19(21-15)17-7-2-4-11-20-17/h2,4,7,11,14,16H,3,5-6,8-10,12-13H2,1H3.
What are the key properties of N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide?
N-methyl-N-[2-(oxan-2-yl)ethyl]-3-(2-pyridin-2-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-2-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110614300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).