2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

C10H10BrN3O2S2 — CID 104527975

IUPAC2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C10H10BrN3O2S2/c11-7-2-1-5(18-7)3-13-10-14-6(4-17-10)8(12)9(15)16/h1-2,4,8H,3,12H2,(H,13,14)(H,15,16)
InChIKeyYXBNAHRBIYHYMT-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.66
Rot. Bonds5

About 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527975) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527975
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC Name2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(NCc2ccc(Br)s2)n1
InChIInChI=1S/C10H10BrN3O2S2/c11-7-2-1-5(18-7)3-13-10-14-6(4-17-10)8(12)9(15)16/h1-2,4,8H,3,12H2,(H,13,14)(H,15,16)
InChIKeyYXBNAHRBIYHYMT-UHFFFAOYSA-N
XLogP2.66
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527796
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-(2,6-dibromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107604300
2-amino-2-[2-[(3-cyanophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527787
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(2-methyloxolan-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104528051
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343003
2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422994
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 104527975) is 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(NCc2ccc(Br)s2)n1.
What is the InChIKey of 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is YXBNAHRBIYHYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c11-7-2-1-5(18-7)3-13-10-14-6(4-17-10)8(12)9(15)16/h1-2,4,8H,3,12H2,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 348.25 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).