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

C10H17N3O2S — CID 104527323

IUPAC2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)C(C)Nc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C10H17N3O2S/c1-5(2)6(3)12-10-13-7(4-16-10)8(11)9(14)15/h4-6,8H,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZYWVOIYTLRYCMB-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.68
Rot. Bonds5

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

2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527323) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
PubChem CID104527323
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
SMILESCC(C)C(C)Nc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C10H17N3O2S/c1-5(2)6(3)12-10-13-7(4-16-10)8(11)9(14)15/h4-6,8H,11H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyZYWVOIYTLRYCMB-UHFFFAOYSA-N
XLogP1.68
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104527769
2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527355
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-[2-(octan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527631
2-amino-2-[2-(4-methylsulfinylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 113493775
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
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid (CID 104527323) is 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid is CC(C)C(C)Nc1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZYWVOIYTLRYCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-5(2)6(3)12-10-13-7(4-16-10)8(11)9(14)15/h4-6,8H,11H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 243.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).