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

C17H21N3OS — CID 56789078

IUPACN-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide
SMILESCc1csc(C2(NC(=O)CCc3ccncc3)CCCC2)n1
InChIInChI=1S/C17H21N3OS/c1-13-12-22-16(19-13)17(8-2-3-9-17)20-15(21)5-4-14-6-10-18-11-7-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyRFRXEXWQEAAAOR-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.36
Rot. Bonds5

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

N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide (PubChem CID 56789078) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide
PubChem CID56789078
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC NameN-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide
SMILESCc1csc(C2(NC(=O)CCc3ccncc3)CCCC2)n1
InChIInChI=1S/C17H21N3OS/c1-13-12-22-16(19-13)17(8-2-3-9-17)20-15(21)5-4-14-6-10-18-11-7-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,21)
InChIKeyRFRXEXWQEAAAOR-UHFFFAOYSA-N
XLogP3.36
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide (CID 56789078) is N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide is Cc1csc(C2(NC(=O)CCc3ccncc3)CCCC2)n1.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide?
The InChIKey is RFRXEXWQEAAAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-12-22-16(19-13)17(8-2-3-9-17)20-15(21)5-4-14-6-10-18-11-7-14/h6-7,10-12H,2-5,8-9H2,1H3,(H,20,21).
What are the key properties of N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide?
N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide has a molecular weight of 315.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-2-yl)cyclopentyl]-3-pyridin-4-ylpropanamide is sourced from PubChem (CID 56789078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).