(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

C13H18Cl2N4OS — CID 119874734

IUPAC(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCCc1nc(-c2ccncc2)cs1.Cl.Cl
InChIInChI=1S/C13H16N4OS.2ClH/c1-9(14)13(18)16-7-4-12-17-11(8-19-12)10-2-5-15-6-3-10;;/h2-3,5-6,8-9H,4,7,14H2,1H3,(H,16,18);2*1H/t9-;;/m1../s1
InChIKeyBETVVJMEEBWPJP-KLQYNRQASA-N
MW349.29 g/mol
LogP2.05
Rot. Bonds5

About (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride

(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (PubChem CID 119874734) has the molecular formula C13H18Cl2N4OS and a molecular weight of 349.29 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
PubChem CID119874734
Molecular FormulaC13H18Cl2N4OS
Molecular Weight349.29 g/mol
Exact Mass348.06
IUPAC Name(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
SMILESC[C@@H](N)C(=O)NCCc1nc(-c2ccncc2)cs1.Cl.Cl
InChIInChI=1S/C13H16N4OS.2ClH/c1-9(14)13(18)16-7-4-12-17-11(8-19-12)10-2-5-15-6-3-10;;/h2-3,5-6,8-9H,4,7,14H2,1H3,(H,16,18);2*1H/t9-;;/m1../s1
InChIKeyBETVVJMEEBWPJP-KLQYNRQASA-N
XLogP2.05
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-2-methylpropanamide
CID 39071665
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propan-2-amine
CID 82103288
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
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N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
2-methyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanoic acid
CID 82118920
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The IUPAC name of (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride (CID 119874734) is (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The canonical SMILES for (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is C[C@@H](N)C(=O)NCCc1nc(-c2ccncc2)cs1.Cl.Cl.
What is the InChIKey of (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
The InChIKey is BETVVJMEEBWPJP-KLQYNRQASA-N. The full InChI is InChI=1S/C13H16N4OS.2ClH/c1-9(14)13(18)16-7-4-12-17-11(8-19-12)10-2-5-15-6-3-10;;/h2-3,5-6,8-9H,4,7,14H2,1H3,(H,16,18);2*1H/t9-;;/m1../s1.
What are the key properties of (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride?
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride has a molecular weight of 349.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride is sourced from PubChem (CID 119874734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).