(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride

C12H16ClN3O2S — CID 119300524

IUPAC(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESCc1cc(-c2csc(NC(=O)[C@@H](C)N)n2)c(C)o1.Cl
InChIInChI=1S/C12H15N3O2S.ClH/c1-6-4-9(8(3)17-6)10-5-18-12(14-10)15-11(16)7(2)13;/h4-5,7H,13H2,1-3H3,(H,14,15,16);1H/t7-;/m1./s1
InChIKeyGTTOXJBWYOONEX-OGFXRTJISA-N
MW301.80 g/mol
LogP2.73
Rot. Bonds3

About (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride

(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride (PubChem CID 119300524) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
PubChem CID119300524
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESCc1cc(-c2csc(NC(=O)[C@@H](C)N)n2)c(C)o1.Cl
InChIInChI=1S/C12H15N3O2S.ClH/c1-6-4-9(8(3)17-6)10-5-18-12(14-10)15-11(16)7(2)13;/h4-5,7H,13H2,1-3H3,(H,14,15,16);1H/t7-;/m1./s1
InChIKeyGTTOXJBWYOONEX-OGFXRTJISA-N
XLogP2.73
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
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(2S)-2-amino-N-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]propanamide
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CID 153333164
N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]-4-methylsulfonylbenzamide
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(2R)-N-[4-[5-(acetamidomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-aminopropanamide;hydrochloride
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(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
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5-methyl-4-[2-(3-methylpentanoylamino)-1,3-thiazol-4-yl]furan-2-carboxamide
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5-methyl-4-[2-[[(3R)-3-methylpentanoyl]amino]-1,3-thiazol-4-yl]furan-2-carboxamide
CID 100704513
2-methyl-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]propanamide
CID 58181819
N-[4-[2-[[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride (CID 119300524) is (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride is Cc1cc(-c2csc(NC(=O)[C@@H](C)N)n2)c(C)o1.Cl.
What is the InChIKey of (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
The InChIKey is GTTOXJBWYOONEX-OGFXRTJISA-N. The full InChI is InChI=1S/C12H15N3O2S.ClH/c1-6-4-9(8(3)17-6)10-5-18-12(14-10)15-11(16)7(2)13;/h4-5,7H,13H2,1-3H3,(H,14,15,16);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride?
(2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[4-(2,5-dimethylfuran-3-yl)-1,3-thiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119300524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).