2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid

C12H17N3O3S — CID 64686290

IUPAC2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESNc1nc(C(=O)NC2(CC(=O)O)CCCCC2)cs1
InChIInChI=1S/C12H17N3O3S/c13-11-14-8(7-19-11)10(18)15-12(6-9(16)17)4-2-1-3-5-12/h7H,1-6H2,(H2,13,14)(H,15,18)(H,16,17)
InChIKeyXJLCOIMDIZQNOS-UHFFFAOYSA-N
MW283.35 g/mol
LogP1.63
Rot. Bonds4

About 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid

2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid (PubChem CID 64686290) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
PubChem CID64686290
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid
SMILESNc1nc(C(=O)NC2(CC(=O)O)CCCCC2)cs1
InChIInChI=1S/C12H17N3O3S/c13-11-14-8(7-19-11)10(18)15-12(6-9(16)17)4-2-1-3-5-12/h7H,1-6H2,(H2,13,14)(H,15,18)(H,16,17)
InChIKeyXJLCOIMDIZQNOS-UHFFFAOYSA-N
XLogP1.63
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1-methylcyclohexyl)-1,3-thiazole-4-carboxamide
CID 62787757
2-[1-(1,3-thiazole-4-carbonylamino)cyclopentyl]acetic acid
CID 64671214
2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217904
2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
2-amino-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-4-carboxamide
CID 65106580
2-[1-(thiophene-3-carbonylamino)cyclohexyl]acetic acid
CID 64670782
2-[4-[(2-propan-2-yl-1,3-thiazole-4-carbonyl)amino]oxan-4-yl]acetic acid
CID 119215163
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
N-[1-(bromomethyl)cyclopentyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 114311521
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
2-amino-N-cyclooctyl-1,3-thiazole-4-carboxamide
CID 55116012
2-[1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]cyclohexyl]acetic acid
CID 64700291

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid (CID 64686290) is 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid is Nc1nc(C(=O)NC2(CC(=O)O)CCCCC2)cs1.
What is the InChIKey of 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid?
The InChIKey is XJLCOIMDIZQNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c13-11-14-8(7-19-11)10(18)15-12(6-9(16)17)4-2-1-3-5-12/h7H,1-6H2,(H2,13,14)(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid?
2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-amino-1,3-thiazole-4-carbonyl)amino]cyclohexyl]acetic acid is sourced from PubChem (CID 64686290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).