4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride

C15H22Cl2N4OS — CID 119875531

IUPAC4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H20N4OS.2ClH/c16-7-1-3-14(20)18-8-2-4-15-19-13(11-21-15)12-5-9-17-10-6-12;;/h5-6,9-11H,1-4,7-8,16H2,(H,18,20);2*1H
InChIKeyWIPYVXJZNWDOKN-UHFFFAOYSA-N
MW377.34 g/mol
LogP2.84
Rot. Bonds8

About 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride

4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride (PubChem CID 119875531) has the molecular formula C15H22Cl2N4OS and a molecular weight of 377.34 g/mol. Its IUPAC name is 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
PubChem CID119875531
Molecular FormulaC15H22Cl2N4OS
Molecular Weight377.34 g/mol
Exact Mass376.09
IUPAC Name4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
SMILESCl.Cl.NCCCC(=O)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C15H20N4OS.2ClH/c16-7-1-3-14(20)18-8-2-4-15-19-13(11-21-15)12-5-9-17-10-6-12;;/h5-6,9-11H,1-4,7-8,16H2,(H,18,20);2*1H
InChIKeyWIPYVXJZNWDOKN-UHFFFAOYSA-N
XLogP2.84
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.34
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
2,4-difluoro-N-[3-oxo-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propylamino]propyl]benzamide
CID 56520163
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
CID 120596443
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119875509
4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide
CID 56520040
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride (CID 119875531) is 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride is Cl.Cl.NCCCC(=O)NCCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
The InChIKey is WIPYVXJZNWDOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS.2ClH/c16-7-1-3-14(20)18-8-2-4-15-19-13(11-21-15)12-5-9-17-10-6-12;;/h5-6,9-11H,1-4,7-8,16H2,(H,18,20);2*1H.
What are the key properties of 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride?
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride has a molecular weight of 377.34 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride is sourced from PubChem (CID 119875531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).