2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid

C11H17N3O3S — CID 79801430

IUPAC2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-5-11(4,8(15)16)14-9(17)13-10-12-6(2)7(3)18-10/h5H2,1-4H3,(H,15,16)(H2,12,13,14,17)
InChIKeySKMOHGCUYGTUMB-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.13
Rot. Bonds4

About 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid

2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid (PubChem CID 79801430) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
PubChem CID79801430
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid
SMILESCCC(C)(NC(=O)Nc1nc(C)c(C)s1)C(=O)O
InChIInChI=1S/C11H17N3O3S/c1-5-11(4,8(15)16)14-9(17)13-10-12-6(2)7(3)18-10/h5H2,1-4H3,(H,15,16)(H2,12,13,14,17)
InChIKeySKMOHGCUYGTUMB-UHFFFAOYSA-N
XLogP2.13
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid?
The IUPAC name of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid (CID 79801430) is 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid is CCC(C)(NC(=O)Nc1nc(C)c(C)s1)C(=O)O.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid?
The InChIKey is SKMOHGCUYGTUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-5-11(4,8(15)16)14-9(17)13-10-12-6(2)7(3)18-10/h5H2,1-4H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid?
2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid has a molecular weight of 271.34 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-thiazol-2-yl)carbamoylamino]-2-methylbutanoic acid is sourced from PubChem (CID 79801430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).