methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride

C11H14ClN3O2S2 — CID 120902853

IUPACmethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride
SMILESCOC(=O)C(NCc1cnc(N)s1)c1cccs1.Cl
InChIInChI=1S/C11H13N3O2S2.ClH/c1-16-10(15)9(8-3-2-4-17-8)13-5-7-6-14-11(12)18-7;/h2-4,6,9,13H,5H2,1H3,(H2,12,14);1H
InChIKeyDRJYURDDMDALBU-UHFFFAOYSA-N
MW319.84 g/mol
LogP2.21
Rot. Bonds5

About methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride

methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride (PubChem CID 120902853) has the molecular formula C11H14ClN3O2S2 and a molecular weight of 319.84 g/mol. Its IUPAC name is methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride
PubChem CID120902853
Molecular FormulaC11H14ClN3O2S2
Molecular Weight319.84 g/mol
Exact Mass319.02
IUPAC Namemethyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride
SMILESCOC(=O)C(NCc1cnc(N)s1)c1cccs1.Cl
InChIInChI=1S/C11H13N3O2S2.ClH/c1-16-10(15)9(8-3-2-4-17-8)13-5-7-6-14-11(12)18-7;/h2-4,6,9,13H,5H2,1H3,(H2,12,14);1H
InChIKeyDRJYURDDMDALBU-UHFFFAOYSA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride with MolForge

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Related Compounds

methyl 2-(4-bromothiophen-2-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 61345410
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
methyl 2-[(2-aminoacetyl)amino]-2-thiophen-2-ylacetate;hydrochloride
CID 119295504
2-thiophen-2-yl-2-(thiophen-2-ylmethylamino)acetic acid
CID 61347911
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,1-dithiophen-2-ylmethanamine
CID 61282963
2-(2-amino-1,3-thiazol-5-yl)acetic acid;methoxymethane
CID 126619372
methyl 2-(2-fluorophenyl)-2-(thiophen-2-ylmethylamino)acetate
CID 54894684
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylsulfanyl]acetate
CID 79774327
methyl 2-thiophen-2-ylpropanoate
CID 12819459
methyl 2-(4-methoxyanilino)-2-thiophen-2-ylacetate
CID 61346939
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride?
The IUPAC name of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride (CID 120902853) is methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride is COC(=O)C(NCc1cnc(N)s1)c1cccs1.Cl.
What is the InChIKey of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride?
The InChIKey is DRJYURDDMDALBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2.ClH/c1-16-10(15)9(8-3-2-4-17-8)13-5-7-6-14-11(12)18-7;/h2-4,6,9,13H,5H2,1H3,(H2,12,14);1H.
What are the key properties of methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride?
methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride has a molecular weight of 319.84 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-amino-1,3-thiazol-5-yl)methylamino]-2-thiophen-2-ylacetate;hydrochloride is sourced from PubChem (CID 120902853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).