5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid

C8H10N2O2S — CID 117214529

IUPAC5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1CNC1CC1
InChIInChI=1S/C8H10N2O2S/c11-8(12)7-6(13-4-10-7)3-9-5-1-2-5/h4-5,9H,1-3H2,(H,11,12)
InChIKeyLFQIXSXUUASYML-UHFFFAOYSA-N
MW198.25 g/mol
LogP1.09
Rot. Bonds4

About 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid

5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 117214529) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid
PubChem CID117214529
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC Name5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1ncsc1CNC1CC1
InChIInChI=1S/C8H10N2O2S/c11-8(12)7-6(13-4-10-7)3-9-5-1-2-5/h4-5,9H,1-3H2,(H,11,12)
InChIKeyLFQIXSXUUASYML-UHFFFAOYSA-N
XLogP1.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1-phosphanylazetidin-3-yl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66601491
5-[(cyclopropylamino)methyl]thiadiazole-4-carboxylic acid
CID 117214530
N-[(4-phenyl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 81174282
5-(carboxymethyl)-1,3-thiazole-4-carboxylic acid
CID 82405580
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
methyl 5-[[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]amino]methyl]-1,3-thiazole-4-carboxylate
CID 66601525
cis-(1R,3S)-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]cyclopentan-1-ol
CID 131209084
N-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679572
2-[(cyclopropylamino)methyl]pyrimidine-4-carboxylic acid
CID 84664586
5-(phenoxymethyl)-1,3-thiazole-4-carboxylic acid
CID 117214552
5-(2,3-dihydro-1H-inden-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 107853950
5-[[2-hydroxyethyl(methyl)amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 82068963

Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid (CID 117214529) is 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid is O=C(O)c1ncsc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LFQIXSXUUASYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(12)7-6(13-4-10-7)3-9-5-1-2-5/h4-5,9H,1-3H2,(H,11,12).
What are the key properties of 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid?
5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 198.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 117214529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).