2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid

C10H14N6O2S — CID 104527963

IUPAC2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CN(C)c2nc(C(N)C(=O)O)cs2)n[nH]1
InChIInChI=1S/C10H14N6O2S/c1-5-12-7(15-14-5)3-16(2)10-13-6(4-19-10)8(11)9(17)18/h4,8H,3,11H2,1-2H3,(H,17,18)(H,12,14,15)
InChIKeyZNIJQCMDBCCRBY-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.29
Rot. Bonds5

About 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid

2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid (PubChem CID 104527963) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
PubChem CID104527963
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
SMILESCc1nc(CN(C)c2nc(C(N)C(=O)O)cs2)n[nH]1
InChIInChI=1S/C10H14N6O2S/c1-5-12-7(15-14-5)3-16(2)10-13-6(4-19-10)8(11)9(17)18/h4,8H,3,11H2,1-2H3,(H,17,18)(H,12,14,15)
InChIKeyZNIJQCMDBCCRBY-UHFFFAOYSA-N
XLogP0.29
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-amino-2-[2-(dipropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527466
2-amino-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
CID 64519599
2-amino-2-[2-[2-methoxyethyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423150
2-amino-2-[2-[pentyl(propan-2-yl)amino]-1,3-thiazol-4-yl]acetic acid
CID 113423061
2-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
CID 64517864
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-[methyl-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]propanoic acid
CID 64517516
2-acetamido-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 64512775
6-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]heptanamide
CID 65291152
4-amino-N,2-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]butanamide
CID 80545123
(2S)-4-amino-2-[[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]carbamoyl]amino]-4-oxobutanoic acid
CID 64519063
(2S)-2-amino-N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]pentanamide
CID 64517863

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid (CID 104527963) is 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid is Cc1nc(CN(C)c2nc(C(N)C(=O)O)cs2)n[nH]1.
What is the InChIKey of 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZNIJQCMDBCCRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-5-12-7(15-14-5)3-16(2)10-13-6(4-19-10)8(11)9(17)18/h4,8H,3,11H2,1-2H3,(H,17,18)(H,12,14,15).
What are the key properties of 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 282.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[methyl-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104527963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).