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

C14H17N3OS — CID 108748809

IUPACN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H17N3OS/c1-2-3-7-13(18)16-9-11-10-19-14(17-11)12-6-4-5-8-15-12/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,18)
InChIKeyBJHYTJBLNFLFKH-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.01
Rot. Bonds6

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

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide (PubChem CID 108748809) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
PubChem CID108748809
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1csc(-c2ccccn2)n1
InChIInChI=1S/C14H17N3OS/c1-2-3-7-13(18)16-9-11-10-19-14(17-11)12-6-4-5-8-15-12/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,18)
InChIKeyBJHYTJBLNFLFKH-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octadecanamide
CID 108748833
3-bromo-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 108748929
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]octan-1-amine
CID 78921085
N-[[2-(diethylaminomethyl)phenyl]methyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34234720
2-(2-prop-2-enoxyphenoxy)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770816
4-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]butanamide
CID 60863942
(Z)-2,3-diphenyl-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]prop-2-enamide
CID 108770782
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110406547
N-butyl-N-methyl-3-(2-pyridin-2-yl-1,3-thiazol-4-yl)propanamide
CID 110329792
N-propan-2-yl-3-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115582676
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
3-butoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115576823

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The IUPAC name of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide (CID 108748809) is N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide.
What is the SMILES notation for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The canonical SMILES for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide is CCCCC(=O)NCc1csc(-c2ccccn2)n1.
What is the InChIKey of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
The InChIKey is BJHYTJBLNFLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-2-3-7-13(18)16-9-11-10-19-14(17-11)12-6-4-5-8-15-12/h4-6,8,10H,2-3,7,9H2,1H3,(H,16,18).
What are the key properties of N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide?
N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide has a molecular weight of 275.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 108748809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).