2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid

C9H12N2O2S — CID 102765843

IUPAC2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1ncsc1C(NC1CC1)C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-5-8(14-4-10-5)7(9(12)13)11-6-2-3-6/h4,6-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyCWJGFJRUIYKQTR-UHFFFAOYSA-N
MW212.27 g/mol
LogP1.33
Rot. Bonds4

About 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid

2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid (PubChem CID 102765843) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
PubChem CID102765843
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
SMILESCc1ncsc1C(NC1CC1)C(=O)O
InChIInChI=1S/C9H12N2O2S/c1-5-8(14-4-10-5)7(9(12)13)11-6-2-3-6/h4,6-7,11H,2-3H2,1H3,(H,12,13)
InChIKeyCWJGFJRUIYKQTR-UHFFFAOYSA-N
XLogP1.33
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid?
The IUPAC name of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid (CID 102765843) is 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid is Cc1ncsc1C(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid?
The InChIKey is CWJGFJRUIYKQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-5-8(14-4-10-5)7(9(12)13)11-6-2-3-6/h4,6-7,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid?
2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid has a molecular weight of 212.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid is sourced from PubChem (CID 102765843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).