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

C19H23N3OS — CID 110329851

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccnc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C19H23N3OS/c23-18(21-12-10-15-5-2-1-3-6-15)9-8-17-14-24-19(22-17)16-7-4-11-20-13-16/h4-5,7,11,13-14H,1-3,6,8-10,12H2,(H,21,23)
InChIKeyMHUOAGFKFKLOHJ-UHFFFAOYSA-N
MW341.48 g/mol
LogP4.14
Rot. Bonds7

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

N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110329851) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110329851
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
SMILESO=C(CCc1csc(-c2cccnc2)n1)NCCC1=CCCCC1
InChIInChI=1S/C19H23N3OS/c23-18(21-12-10-15-5-2-1-3-6-15)9-8-17-14-24-19(22-17)16-7-4-11-20-13-16/h4-5,7,11,13-14H,1-3,6,8-10,12H2,(H,21,23)
InChIKeyMHUOAGFKFKLOHJ-UHFFFAOYSA-N
XLogP4.14
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329883
3-(2-pyridin-3-yl-1,3-thiazol-4-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110624792
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
N-[2-(2-methoxyphenyl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329884
3-phenoxy-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500659
N-[4-[3-[2-(cyclohexen-1-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208641
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
4-(4-methoxyphenyl)-4-oxo-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110624951
N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]furan-2-carboxamide
CID 5310118
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110408611
N-[2-(cyclohexen-1-yl)ethyl]-3-[2-[(4-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]propanamide
CID 27376845

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide (CID 110329851) is N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is O=C(CCc1csc(-c2cccnc2)n1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is MHUOAGFKFKLOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3OS/c23-18(21-12-10-15-5-2-1-3-6-15)9-8-17-14-24-19(22-17)16-7-4-11-20-13-16/h4-5,7,11,13-14H,1-3,6,8-10,12H2,(H,21,23).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 341.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110329851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).