5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid

C10H14N2O3S — CID 64630495

IUPAC5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOC1CCCC1Nc1scnc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-15-7-4-2-3-6(7)12-9-8(10(13)14)11-5-16-9/h5-7,12H,2-4H2,1H3,(H,13,14)
InChIKeyHBIBLKWCZMGSHO-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.82
Rot. Bonds4

About 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid

5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 64630495) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID64630495
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCOC1CCCC1Nc1scnc1C(=O)O
InChIInChI=1S/C10H14N2O3S/c1-15-7-4-2-3-6(7)12-9-8(10(13)14)11-5-16-9/h5-7,12H,2-4H2,1H3,(H,13,14)
InChIKeyHBIBLKWCZMGSHO-UHFFFAOYSA-N
XLogP1.82
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid (CID 64630495) is 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid is COC1CCCC1Nc1scnc1C(=O)O.
What is the InChIKey of 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is HBIBLKWCZMGSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-7-4-2-3-6(7)12-9-8(10(13)14)11-5-16-9/h5-7,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid?
5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxycyclopentyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 64630495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).