2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid

C10H14N2O3S — CID 117099129

IUPAC2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCc1sc(C(C)C)nc1C(=O)NCC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-5(2)10-12-8(6(3)16-10)9(15)11-4-7(13)14/h5H,4H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKPCYOMNHMMDLDQ-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.39
Rot. Bonds4

About 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid

2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (PubChem CID 117099129) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
PubChem CID117099129
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
SMILESCc1sc(C(C)C)nc1C(=O)NCC(=O)O
InChIInChI=1S/C10H14N2O3S/c1-5(2)10-12-8(6(3)16-10)9(15)11-4-7(13)14/h5H,4H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyKPCYOMNHMMDLDQ-UHFFFAOYSA-N
XLogP1.39
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid (CID 117099129) is 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is Cc1sc(C(C)C)nc1C(=O)NCC(=O)O.
What is the InChIKey of 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
The InChIKey is KPCYOMNHMMDLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-5(2)10-12-8(6(3)16-10)9(15)11-4-7(13)14/h5H,4H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid?
2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid has a molecular weight of 242.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 117099129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).