N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

C17H16N4OS — CID 110648281

IUPACN-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)cs1)NCc1cccnc1
InChIInChI=1S/C17H16N4OS/c22-16(20-11-13-4-3-8-18-10-13)6-7-17-21-15(12-23-17)14-5-1-2-9-19-14/h1-5,8-10,12H,6-7,11H2,(H,20,22)
InChIKeyOVRYJBFXPBLMMB-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.85
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide

N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 110648281) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
PubChem CID110648281
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC NameN-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)cs1)NCc1cccnc1
InChIInChI=1S/C17H16N4OS/c22-16(20-11-13-4-3-8-18-10-13)6-7-17-21-15(12-23-17)14-5-1-2-9-19-14/h1-5,8-10,12H,6-7,11H2,(H,20,22)
InChIKeyOVRYJBFXPBLMMB-UHFFFAOYSA-N
XLogP2.85
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(pyridin-3-ylmethyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110648283
3-amino-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119882653
N-(2,6-dimethylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649752
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110648739
N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 110317876
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317508
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
N-(2-propan-2-ylphenyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
CID 110649858
3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(3-pyridin-3-ylpropyl)propanamide
CID 110607149
2-(methylamino)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119882616
N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110317519
2-(4-chlorophenyl)-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110317539

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide (CID 110648281) is N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is O=C(CCc1nc(-c2ccccn2)cs1)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is OVRYJBFXPBLMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-16(20-11-13-4-3-8-18-10-13)6-7-17-21-15(12-23-17)14-5-1-2-9-19-14/h1-5,8-10,12H,6-7,11H2,(H,20,22).
What are the key properties of N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide?
N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 324.41 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-3-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 110648281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).