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

C11H13N3O2S2 — CID 104527796

IUPAC2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(CNc2nc(C(N)C(=O)O)cs2)s1
InChIInChI=1S/C11H13N3O2S2/c1-6-2-3-7(18-6)4-13-11-14-8(5-17-11)9(12)10(15)16/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyTVDKHPYZTYHVLT-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.21
Rot. Bonds5

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

2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527796) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527796
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1ccc(CNc2nc(C(N)C(=O)O)cs2)s1
InChIInChI=1S/C11H13N3O2S2/c1-6-2-3-7(18-6)4-13-11-14-8(5-17-11)9(12)10(15)16/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyTVDKHPYZTYHVLT-UHFFFAOYSA-N
XLogP2.21
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid (CID 104527796) is 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is Cc1ccc(CNc2nc(C(N)C(=O)O)cs2)s1.
What is the InChIKey of 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is TVDKHPYZTYHVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-6-2-3-7(18-6)4-13-11-14-8(5-17-11)9(12)10(15)16/h2-3,5,9H,4,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 283.38 g/mol, XLogP of 2.21, 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-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).