1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

C12H17N3O3S — CID 113311421

IUPAC1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCCc1nccs1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H17N3O3S/c16-10(17)12(3-1-4-12)8-15-11(18)14-5-2-9-13-6-7-19-9/h6-7H,1-5,8H2,(H,16,17)(H2,14,15,18)
InChIKeyOCFLRCCHYOBKID-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.24
Rot. Bonds6

About 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid

1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 113311421) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
PubChem CID113311421
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCCc1nccs1)NCC1(C(=O)O)CCC1
InChIInChI=1S/C12H17N3O3S/c16-10(17)12(3-1-4-12)8-15-11(18)14-5-2-9-13-6-7-19-9/h6-7H,1-5,8H2,(H,16,17)(H2,14,15,18)
InChIKeyOCFLRCCHYOBKID-UHFFFAOYSA-N
XLogP1.24
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
1-[(1,3-thiazol-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309764
1-[(2-pyridin-2-ylethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446334
1-benzyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 49470436
1-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 106404307
1-cyclobutyl-3-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 115618022
1-[2-(1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 49470389
2-[1-(aminomethyl)cyclobutyl]-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 81168800
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816179
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
1-(1,3-thiazol-2-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 54962816
1-[(E)-N'-hydroxycarbamimidoyl]-N-[2-(1,3-thiazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 80593805

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid (CID 113311421) is 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is O=C(NCCc1nccs1)NCC1(C(=O)O)CCC1.
What is the InChIKey of 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is OCFLRCCHYOBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c16-10(17)12(3-1-4-12)8-15-11(18)14-5-2-9-13-6-7-19-9/h6-7H,1-5,8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid?
1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 283.35 g/mol, XLogP of 1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 113311421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).