2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride

C14H19ClN4OS — CID 120704270

IUPAC2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCc1nc(-c2ccncc2)cs1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-15-9-13(19)17-6-2-3-14-18-12(10-20-14)11-4-7-16-8-5-11;/h4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,17,19);1H
InChIKeyDMVCTIJRNFDIJF-UHFFFAOYSA-N
MW326.85 g/mol
LogP1.90
Rot. Bonds7

About 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride

2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride (PubChem CID 120704270) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
PubChem CID120704270
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
SMILESCNCC(=O)NCCCc1nc(-c2ccncc2)cs1.Cl
InChIInChI=1S/C14H18N4OS.ClH/c1-15-9-13(19)17-6-2-3-14-18-12(10-20-14)11-4-7-16-8-5-11;/h4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,17,19);1H
InChIKeyDMVCTIJRNFDIJF-UHFFFAOYSA-N
XLogP1.90
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 51.90
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

4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
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
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
CID 119875480
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
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
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56520412
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
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 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride (CID 120704270) is 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride is CNCC(=O)NCCCc1nc(-c2ccncc2)cs1.Cl.
What is the InChIKey of 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride?
The InChIKey is DMVCTIJRNFDIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS.ClH/c1-15-9-13(19)17-6-2-3-14-18-12(10-20-14)11-4-7-16-8-5-11;/h4-5,7-8,10,15H,2-3,6,9H2,1H3,(H,17,19);1H.
What are the key properties of 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride?
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride has a molecular weight of 326.85 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120704270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).