methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate

C17H26N2O3S — CID 55808952

IUPACmethyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2sc(C(C)C)nc2C)CCC(C)CC1
InChIInChI=1S/C17H26N2O3S/c1-10(2)15-18-12(4)13(23-15)14(20)19-17(16(21)22-5)8-6-11(3)7-9-17/h10-11H,6-9H2,1-5H3,(H,19,20)
InChIKeyCDLYHNDCWYPSMY-UHFFFAOYSA-N
MW338.47 g/mol
LogP3.43
Rot. Bonds4

About methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate

methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 55808952) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID55808952
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Namemethyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2sc(C(C)C)nc2C)CCC(C)CC1
InChIInChI=1S/C17H26N2O3S/c1-10(2)15-18-12(4)13(23-15)14(20)19-17(16(21)22-5)8-6-11(3)7-9-17/h10-11H,6-9H2,1-5H3,(H,19,20)
InChIKeyCDLYHNDCWYPSMY-UHFFFAOYSA-N
XLogP3.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate (CID 55808952) is methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)c2sc(C(C)C)nc2C)CCC(C)CC1.
What is the InChIKey of methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is CDLYHNDCWYPSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-10(2)15-18-12(4)13(23-15)14(20)19-17(16(21)22-5)8-6-11(3)7-9-17/h10-11H,6-9H2,1-5H3,(H,19,20).
What are the key properties of methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 338.47 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[(4-methyl-2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 55808952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).