4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide

C12H14N4OS — CID 110460819

IUPAC4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H14N4OS/c13-5-1-4-11(17)16-12-15-10(8-18-12)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5,13H2,(H,15,16,17)
InChIKeyZBROKXSOIKIEPB-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.88
Rot. Bonds5

About 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide

4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 110460819) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
PubChem CID110460819
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
SMILESNCCCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C12H14N4OS/c13-5-1-4-11(17)16-12-15-10(8-18-12)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5,13H2,(H,15,16,17)
InChIKeyZBROKXSOIKIEPB-UHFFFAOYSA-N
XLogP1.88
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-tert-butylsulfanyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 35874851
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 9361604
4-amino-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 92944336
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-7-aminoheptanamide
CID 119676243
4-amino-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 82033947
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)pentanamide
CID 71753569
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
3-[5-(2-fluorophenyl)furan-2-yl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 134044736
4-amino-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]butanamide;hydrochloride
CID 119268544
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide (CID 110460819) is 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide is NCCCC(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is ZBROKXSOIKIEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-5-1-4-11(17)16-12-15-10(8-18-12)9-3-2-6-14-7-9/h2-3,6-8H,1,4-5,13H2,(H,15,16,17).
What are the key properties of 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide?
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 262.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 110460819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).