N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide

C18H19N3OS2 — CID 110395377

IUPACN-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1nc(-c2ccncc2)sc1CCNC(=O)CCc1cccs1
InChIInChI=1S/C18H19N3OS2/c1-13-16(24-18(21-13)14-6-9-19-10-7-14)8-11-20-17(22)5-4-15-3-2-12-23-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,20,22)
InChIKeyKFRHIWCPYNWFAD-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.87
Rot. Bonds7

About N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110395377) has the molecular formula C18H19N3OS2 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110395377
Molecular FormulaC18H19N3OS2
Molecular Weight357.50 g/mol
Exact Mass357.10
IUPAC NameN-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESCc1nc(-c2ccncc2)sc1CCNC(=O)CCc1cccs1
InChIInChI=1S/C18H19N3OS2/c1-13-16(24-18(21-13)14-6-9-19-10-7-14)8-11-20-17(22)5-4-15-3-2-12-23-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,20,22)
InChIKeyKFRHIWCPYNWFAD-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110395334
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 110395353
N-[2-(2-fluorophenyl)ethyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329182
1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 71795363
N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 24552699
2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)-N-pentylacetamide
CID 110329211
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N-[(1R)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 26322382
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 45229538
N-[2-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpropanamide
CID 7518028

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 110395377) is N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide is Cc1nc(-c2ccncc2)sc1CCNC(=O)CCc1cccs1.
What is the InChIKey of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KFRHIWCPYNWFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS2/c1-13-16(24-18(21-13)14-6-9-19-10-7-14)8-11-20-17(22)5-4-15-3-2-12-23-15/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 357.50 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110395377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).