2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid

C11H14N4O2S2 — CID 114129193

IUPAC2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(CNc1nc(C(N)C(=O)O)cs1)c1nccs1
InChIInChI=1S/C11H14N4O2S2/c1-6(9-13-2-3-18-9)4-14-11-15-7(5-19-11)8(12)10(16)17/h2-3,5-6,8H,4,12H2,1H3,(H,14,15)(H,16,17)
InChIKeySPWYKLVZCLLFJJ-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.90
Rot. Bonds6

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

2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 114129193) has the molecular formula C11H14N4O2S2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
PubChem CID114129193
Molecular FormulaC11H14N4O2S2
Molecular Weight298.39 g/mol
Exact Mass298.06
IUPAC Name2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(CNc1nc(C(N)C(=O)O)cs1)c1nccs1
InChIInChI=1S/C11H14N4O2S2/c1-6(9-13-2-3-18-9)4-14-11-15-7(5-19-11)8(12)10(16)17/h2-3,5-6,8H,4,12H2,1H3,(H,14,15)(H,16,17)
InChIKeySPWYKLVZCLLFJJ-UHFFFAOYSA-N
XLogP1.90
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527355
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-[2-(methylsulfamoyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 106343003
2-amino-2-[2-[(5-methylthiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527796

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid (CID 114129193) is 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid is CC(CNc1nc(C(N)C(=O)O)cs1)c1nccs1.
What is the InChIKey of 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is SPWYKLVZCLLFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2S2/c1-6(9-13-2-3-18-9)4-14-11-15-7(5-19-11)8(12)10(16)17/h2-3,5-6,8H,4,12H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 298.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[2-(1,3-thiazol-2-yl)propylamino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 114129193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).