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

C10H16N4O3S — CID 104527769

IUPAC2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(Nc1nc(C(N)C(=O)O)cs1)C(=O)N(C)C
InChIInChI=1S/C10H16N4O3S/c1-5(8(15)14(2)3)12-10-13-6(4-18-10)7(11)9(16)17/h4-5,7H,11H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyMBJGBGGLVGSFMZ-UHFFFAOYSA-N
MW272.33 g/mol
LogP0.12
Rot. Bonds5

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

2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527769) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527769
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCC(Nc1nc(C(N)C(=O)O)cs1)C(=O)N(C)C
InChIInChI=1S/C10H16N4O3S/c1-5(8(15)14(2)3)12-10-13-6(4-18-10)7(11)9(16)17/h4-5,7H,11H2,1-3H3,(H,12,13)(H,16,17)
InChIKeyMBJGBGGLVGSFMZ-UHFFFAOYSA-N
XLogP0.12
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
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-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527355
2-amino-2-[2-(4-methylsulfinylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 113493775
2-amino-2-[2-(octan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527631
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-1,3-thiazol-4-yl]acetic acid
CID 104528029
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-[(4-ethylcyclohexyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527741
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527370

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid (CID 104527769) is 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid is CC(Nc1nc(C(N)C(=O)O)cs1)C(=O)N(C)C.
What is the InChIKey of 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is MBJGBGGLVGSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-5(8(15)14(2)3)12-10-13-6(4-18-10)7(11)9(16)17/h4-5,7H,11H2,1-3H3,(H,12,13)(H,16,17).
What are the key properties of 2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 272.33 g/mol, XLogP of 0.12, 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-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).