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

C14H21N3O3S — CID 115436821

IUPAC1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CNC(=O)NCC2(C(=O)O)CCCCC2)cs1
InChIInChI=1S/C14H21N3O3S/c1-10-17-11(8-21-10)7-15-13(20)16-9-14(12(18)19)5-3-2-4-6-14/h8H,2-7,9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyKWLKGENBDJPKTH-UHFFFAOYSA-N
MW311.41 g/mol
LogP2.29
Rot. Bonds5

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

1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436821) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436821
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1nc(CNC(=O)NCC2(C(=O)O)CCCCC2)cs1
InChIInChI=1S/C14H21N3O3S/c1-10-17-11(8-21-10)7-15-13(20)16-9-14(12(18)19)5-3-2-4-6-14/h8H,2-7,9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyKWLKGENBDJPKTH-UHFFFAOYSA-N
XLogP2.29
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 106038526
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436856
4-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 63126941
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
1-[[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 106382934
N-[1-(hydroxymethyl)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 62522368
1-butyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 47237480
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-[(1-hydroxycycloheptyl)methyl]urea
CID 111426824
1-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433669
1-(N'-hydroxycarbamimidoyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexane-1-carboxamide
CID 76921358
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
1-[(1,3-thiazol-2-ylmethylcarbamoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115446587

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 115436821) is 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is Cc1nc(CNC(=O)NCC2(C(=O)O)CCCCC2)cs1.
What is the InChIKey of 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KWLKGENBDJPKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-10-17-11(8-21-10)7-15-13(20)16-9-14(12(18)19)5-3-2-4-6-14/h8H,2-7,9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 311.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).