3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid

C10H14N2O2S — CID 117215828

IUPAC3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(CNC2CCCC2)ns1
InChIInChI=1S/C10H14N2O2S/c13-10(14)9-5-8(12-15-9)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6H2,(H,13,14)
InChIKeyULZUSAGEFVABDK-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.87
Rot. Bonds4

About 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid

3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid (PubChem CID 117215828) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid
PubChem CID117215828
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid
SMILESO=C(O)c1cc(CNC2CCCC2)ns1
InChIInChI=1S/C10H14N2O2S/c13-10(14)9-5-8(12-15-9)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6H2,(H,13,14)
InChIKeyULZUSAGEFVABDK-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Methyl-1,2-thiazole-5-carboxylate;triethylazanium
CID 139604222
3-Methyl-1,2-thiazole-5-carboxylic acid;propan-2-amine
CID 173358481
3-(Aminomethyl)-1,2-thiazole-5-carboxylic acid
CID 83480080
3-(Cyclopropylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215208
3-(Cyclobutylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215209
3-(Cyclopentylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215210
3-(Methylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215212
3-(Pyrrolidine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215214
3-(Piperazine-1-carbonyl)-1,2-thiazole-5-carboxylic acid
CID 117215217
3-(Ethylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215245
3-(Propan-2-ylcarbamoyl)-1,2-thiazole-5-carboxylic acid
CID 117215248
3-[(Cyclopropylamino)methyl]-1,2-thiazole-5-carboxylic acid
CID 117215826

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid?
The IUPAC name of 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid (CID 117215828) is 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid is O=C(O)c1cc(CNC2CCCC2)ns1.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid?
The InChIKey is ULZUSAGEFVABDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-10(14)9-5-8(12-15-9)6-11-7-3-1-2-4-7/h5,7,11H,1-4,6H2,(H,13,14).
What are the key properties of 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid?
3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-1,2-thiazole-5-carboxylic acid is sourced from PubChem (CID 117215828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).