3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride

C9H15ClN4O2S2 — CID 119291959

IUPAC3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESCc1nc(NC(=O)CCN)sc1SCC(N)=O.Cl
InChIInChI=1S/C9H14N4O2S2.ClH/c1-5-8(16-4-6(11)14)17-9(12-5)13-7(15)2-3-10;/h2-4,10H2,1H3,(H2,11,14)(H,12,13,15);1H
InChIKeyOWNSOJGVWLROKD-UHFFFAOYSA-N
MW310.83 g/mol
LogP0.74
Rot. Bonds6

About 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride

3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride (PubChem CID 119291959) has the molecular formula C9H15ClN4O2S2 and a molecular weight of 310.83 g/mol. Its IUPAC name is 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
PubChem CID119291959
Molecular FormulaC9H15ClN4O2S2
Molecular Weight310.83 g/mol
Exact Mass310.03
IUPAC Name3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride
SMILESCc1nc(NC(=O)CCN)sc1SCC(N)=O.Cl
InChIInChI=1S/C9H14N4O2S2.ClH/c1-5-8(16-4-6(11)14)17-9(12-5)13-7(15)2-3-10;/h2-4,10H2,1H3,(H2,11,14)(H,12,13,15);1H
InChIKeyOWNSOJGVWLROKD-UHFFFAOYSA-N
XLogP0.74
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-(4-methyl-5-methylsulfanyl-1,3-thiazol-2-yl)propanamide
CID 130831835
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-(4-ethylphenyl)propanamide
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N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 38308718
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-N',N'-dipropylpentanediamide
CID 56546158
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 38309039
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-6-methylpyridine-2-carboxamide
CID 38585979
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(1H-indol-3-yl)acetamide
CID 39023747
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(2,3-dihydro-1,4-benzothiazin-4-yl)-4-oxobutanamide
CID 56565141
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-2-(2,4-dimethylquinolin-3-yl)acetamide
CID 39026219
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[(2,4-dimethylphenyl)sulfonylamino]propanamide
CID 55653267
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-4-(dimethylamino)benzamide
CID 39024026
N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 39023264

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride (CID 119291959) is 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride is Cc1nc(NC(=O)CCN)sc1SCC(N)=O.Cl.
What is the InChIKey of 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride?
The InChIKey is OWNSOJGVWLROKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2S2.ClH/c1-5-8(16-4-6(11)14)17-9(12-5)13-7(15)2-3-10;/h2-4,10H2,1H3,(H2,11,14)(H,12,13,15);1H.
What are the key properties of 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride?
3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride has a molecular weight of 310.83 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-amino-2-oxoethyl)sulfanyl-4-methyl-1,3-thiazol-2-yl]propanamide;hydrochloride is sourced from PubChem (CID 119291959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).