4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

C16H23N3O4S — CID 157011581

IUPAC4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(N2CCOCC2)sc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23N3O4S/c1-10-13(24-16(17-10)19-6-8-23-9-7-19)14(20)18-12-4-2-11(3-5-12)15(21)22/h11-12H,2-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyNJPNYGCMTCHEIU-UHFFFAOYSA-N
MW353.44 g/mol
LogP1.66
Rot. Bonds4

About 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 157011581) has the molecular formula C16H23N3O4S and a molecular weight of 353.44 g/mol. Its IUPAC name is 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID157011581
Molecular FormulaC16H23N3O4S
Molecular Weight353.44 g/mol
Exact Mass353.14
IUPAC Name4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1nc(N2CCOCC2)sc1C(=O)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C16H23N3O4S/c1-10-13(24-16(17-10)19-6-8-23-9-7-19)14(20)18-12-4-2-11(3-5-12)15(21)22/h11-12H,2-9H2,1H3,(H,18,20)(H,21,22)
InChIKeyNJPNYGCMTCHEIU-UHFFFAOYSA-N
XLogP1.66
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 157011581) is 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1nc(N2CCOCC2)sc1C(=O)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is NJPNYGCMTCHEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S/c1-10-13(24-16(17-10)19-6-8-23-9-7-19)14(20)18-12-4-2-11(3-5-12)15(21)22/h11-12H,2-9H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 353.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 157011581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).