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

C22H23N3OS — CID 110305224

IUPAC3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CC(c1ccccc1)C1CC1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C22H23N3OS/c26-21(14-20(17-6-7-17)16-4-2-1-3-5-16)24-13-10-19-15-27-22(25-19)18-8-11-23-12-9-18/h1-5,8-9,11-12,15,17,20H,6-7,10,13-14H2,(H,24,26)
InChIKeyJWLXVZJPTZLGCL-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.45
Rot. Bonds8

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

3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110305224) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110305224
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
SMILESO=C(CC(c1ccccc1)C1CC1)NCCc1csc(-c2ccncc2)n1
InChIInChI=1S/C22H23N3OS/c26-21(14-20(17-6-7-17)16-4-2-1-3-5-16)24-13-10-19-15-27-22(25-19)18-8-11-23-12-9-18/h1-5,8-9,11-12,15,17,20H,6-7,10,13-14H2,(H,24,26)
InChIKeyJWLXVZJPTZLGCL-UHFFFAOYSA-N
XLogP4.45
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
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3-methyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 110305211
3-cyclopropyl-3-(3,4-dimethylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110620228
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
1-cyclopropyl-3-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]urea
CID 51710217
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
2-(4-chlorophenyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
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4-amino-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119266976
3-(3-chlorophenyl)-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110624995
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 38162050
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide (CID 110305224) is 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide is O=C(CC(c1ccccc1)C1CC1)NCCc1csc(-c2ccncc2)n1.
What is the InChIKey of 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is JWLXVZJPTZLGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-21(14-20(17-6-7-17)16-4-2-1-3-5-16)24-13-10-19-15-27-22(25-19)18-8-11-23-12-9-18/h1-5,8-9,11-12,15,17,20H,6-7,10,13-14H2,(H,24,26).
What are the key properties of 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide?
3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 377.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110305224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).