2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide

C12H19N3O3S — CID 117093956

IUPAC2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C12H19N3O3S/c16-6-5-13-11(18)10-7-14-12(19-10)15-8-1-3-9(17)4-2-8/h7-9,16-17H,1-6H2,(H,13,18)(H,14,15)
InChIKeyXLGAJGDTBXYQKG-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.58
Rot. Bonds5

About 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide

2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide (PubChem CID 117093956) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
PubChem CID117093956
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCCO)c1cnc(NC2CCC(O)CC2)s1
InChIInChI=1S/C12H19N3O3S/c16-6-5-13-11(18)10-7-14-12(19-10)15-8-1-3-9(17)4-2-8/h7-9,16-17H,1-6H2,(H,13,18)(H,14,15)
InChIKeyXLGAJGDTBXYQKG-UHFFFAOYSA-N
XLogP0.58
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide (CID 117093956) is 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide is O=C(NCCO)c1cnc(NC2CCC(O)CC2)s1.
What is the InChIKey of 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is XLGAJGDTBXYQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c16-6-5-13-11(18)10-7-14-12(19-10)15-8-1-3-9(17)4-2-8/h7-9,16-17H,1-6H2,(H,13,18)(H,14,15).
What are the key properties of 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide?
2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxycyclohexyl)amino]-N-(2-hydroxyethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 117093956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).