1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

C13H19N3O4S — CID 106382934

IUPAC1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1csc(=O)[nH]1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H19N3O4S/c17-10(18)13(4-2-1-3-5-13)8-15-11(19)14-6-9-7-21-12(20)16-9/h7H,1-6,8H2,(H,16,20)(H,17,18)(H2,14,15,19)
InChIKeyHNFQZJATYUEHLC-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.27
Rot. Bonds5

About 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid

1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106382934) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID106382934
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1csc(=O)[nH]1)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C13H19N3O4S/c17-10(18)13(4-2-1-3-5-13)8-15-11(19)14-6-9-7-21-12(20)16-9/h7H,1-6,8H2,(H,16,20)(H,17,18)(H2,14,15,19)
InChIKeyHNFQZJATYUEHLC-UHFFFAOYSA-N
XLogP1.27
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

2-[1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]cyclobutyl]acetic acid
CID 106382873
4-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 106382767
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821
1-[(thiophen-3-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436981
2-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106382880
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-[(1,3-thiazol-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309764
2,2,3-trimethyl-3-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]butanoic acid
CID 106382833
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856
1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311432
1-[[(2-methoxy-2-oxoethyl)carbamoylamino]methyl]cycloheptane-1-carboxylic acid
CID 115444671

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 106382934) is 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is O=C(NCc1csc(=O)[nH]1)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is HNFQZJATYUEHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c17-10(18)13(4-2-1-3-5-13)8-15-11(19)14-6-9-7-21-12(20)16-9/h7H,1-6,8H2,(H,16,20)(H,17,18)(H2,14,15,19).
What are the key properties of 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 313.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106382934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).