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

C10H14N2O3S — CID 103560662

IUPAC5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOC1(Cc2nc(C(=O)O)c(N)s2)CCC1
InChIInChI=1S/C10H14N2O3S/c1-15-10(3-2-4-10)5-6-12-7(9(13)14)8(11)16-6/h2-5,11H2,1H3,(H,13,14)
InChIKeyLGGCMNMTZRVYHV-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.54
Rot. Bonds4

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

5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 103560662) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID103560662
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid
SMILESCOC1(Cc2nc(C(=O)O)c(N)s2)CCC1
InChIInChI=1S/C10H14N2O3S/c1-15-10(3-2-4-10)5-6-12-7(9(13)14)8(11)16-6/h2-5,11H2,1H3,(H,13,14)
InChIKeyLGGCMNMTZRVYHV-UHFFFAOYSA-N
XLogP1.54
TPSA85.44 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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Amino-2-(4,4-difluorocyclohexyl)-1,3-thiazole-4-carboxylic acid
CID 103200018
5-Amino-2-[4-(trifluoromethyl)cyclohexyl]-1,3-thiazole-4-carboxylic acid
CID 113787170
5-Amino-2-propan-2-yl-1,3-thiazole-4-carboxylic acid
CID 21093533
2-Boc-amino-4-thiazole carboxylic acid
CID 53249744
5-((tert-Butoxycarbonyl)amino)-2-cyclohexylthiazole-4-carboxylic acid
CID 58182196
5-Amino-2-ethyl-1,3-thiazole-4-carboxylic acid
CID 67421917
5-(Tert-butoxycarbonylamino)-2-cyclobutylthiazole-4-carboxylic acid
CID 67439191
5-Amino-2-cyclobutyl-1,3-thiazole-4-carboxylic acid
CID 67549555
5-Amino-2-tert-butylthiazole-4-carboxylic acid
CID 68547853
5-Amino-2-cyclobutyl-thiazole-4-carboxylic acid ethyl ester
CID 68678007
5-(Tert-butoxycarbonylamino)-2-cyclopentylthiazole-4-carboxylic acid
CID 69809381
5-Amino-2-cyclopropyl-1,3-thiazole-4-carboxylic acid
CID 83696847

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid (CID 103560662) is 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid is COC1(Cc2nc(C(=O)O)c(N)s2)CCC1.
What is the InChIKey of 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LGGCMNMTZRVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-15-10(3-2-4-10)5-6-12-7(9(13)14)8(11)16-6/h2-5,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid?
5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 242.30 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(1-methoxycyclobutyl)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 103560662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).