2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide

C7H10N4OS — CID 134429966

IUPAC2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC(N)C2)s1
InChIInChI=1S/C7H10N4OS/c8-4-2-11(3-4)7-10-1-5(13-7)6(9)12/h1,4H,2-3,8H2,(H2,9,12)
InChIKeyYMTZGCMKNHHVGB-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.61
Rot. Bonds2

About 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide

2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide (PubChem CID 134429966) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
PubChem CID134429966
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC Name2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(N2CC(N)C2)s1
InChIInChI=1S/C7H10N4OS/c8-4-2-11(3-4)7-10-1-5(13-7)6(9)12/h1,4H,2-3,8H2,(H2,9,12)
InChIKeyYMTZGCMKNHHVGB-UHFFFAOYSA-N
XLogP-0.61
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(1H-pyrazol-4-yl)piperazin-1-yl]-1,3-thiazole-5-carboxamide
CID 175864765
2-(4-pyridazin-3-ylpiperazin-1-yl)-1,3-thiazole-5-carboxamide
CID 175864789
2-[3-fluoro-4-[(3R)-3-methylpiperidin-1-yl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 175765572
methyl 2-(2,6-dimethylthiomorpholin-4-yl)-1,3-thiazole-5-carboxylate
CID 80571506
methyl 2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 104961724
2-[4-(hydroxymethyl)piperidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 71208660
6-(3-aminoazetidin-1-yl)pyridine-3-carboxamide
CID 65250216
2-(4-hydroxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 71208672
2-(3-ethylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752952
2-[4-[(3S)-3-phenyl-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]-1,3-thiazole-5-carboxamide
CID 134521790
1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)ethanone
CID 62756912
2-(cyclopropylmethylamino)-1,3-thiazole-5-carboxamide
CID 174641583

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide (CID 134429966) is 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(N2CC(N)C2)s1.
What is the InChIKey of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is YMTZGCMKNHHVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c8-4-2-11(3-4)7-10-1-5(13-7)6(9)12/h1,4H,2-3,8H2,(H2,9,12).
What are the key properties of 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide?
2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 198.25 g/mol, XLogP of -0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminoazetidin-1-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 134429966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).