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

C15H20Cl2N4OS — CID 119875479

IUPAC1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCc2nc(-c3ccncc3)cs2)CC1
InChIInChI=1S/C15H18N4OS.2ClH/c16-15(5-6-15)14(20)18-7-1-2-13-19-12(10-21-13)11-3-8-17-9-4-11;;/h3-4,8-10H,1-2,5-7,16H2,(H,18,20);2*1H
InChIKeyDLMMHOWFAHJRER-UHFFFAOYSA-N
MW375.33 g/mol
LogP2.59
Rot. Bonds6

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

1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (PubChem CID 119875479) has the molecular formula C15H20Cl2N4OS and a molecular weight of 375.33 g/mol. Its IUPAC name is 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
PubChem CID119875479
Molecular FormulaC15H20Cl2N4OS
Molecular Weight375.33 g/mol
Exact Mass374.07
IUPAC Name1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
SMILESCl.Cl.NC1(C(=O)NCCCc2nc(-c3ccncc3)cs2)CC1
InChIInChI=1S/C15H18N4OS.2ClH/c16-15(5-6-15)14(20)18-7-1-2-13-19-12(10-21-13)11-3-8-17-9-4-11;;/h3-4,8-10H,1-2,5-7,16H2,(H,18,20);2*1H
InChIKeyDLMMHOWFAHJRER-UHFFFAOYSA-N
XLogP2.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride with MolForge

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Related Compounds

1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
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CID 119875531
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
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N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
CID 110317818
3-(2-aminophenyl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 120612941
3-bromo-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]thiophene-2-carboxamide
CID 56520287
2-amino-2-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide
CID 120596443
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
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-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]piperidine-3-carboxamide
CID 119875478

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride (CID 119875479) is 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is Cl.Cl.NC1(C(=O)NCCCc2nc(-c3ccncc3)cs2)CC1.
What is the InChIKey of 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
The InChIKey is DLMMHOWFAHJRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS.2ClH/c16-15(5-6-15)14(20)18-7-1-2-13-19-12(10-21-13)11-3-8-17-9-4-11;;/h3-4,8-10H,1-2,5-7,16H2,(H,18,20);2*1H.
What are the key properties of 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride?
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride has a molecular weight of 375.33 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119875479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).