N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide

C18H29N3O3S — CID 55983080

IUPACN,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCn2c(C)csc2=O)CCCCC1
InChIInChI=1S/C18H29N3O3S/c1-4-20(5-2)16(23)18(10-7-6-8-11-18)19-15(22)9-12-21-14(3)13-25-17(21)24/h13H,4-12H2,1-3H3,(H,19,22)
InChIKeyLJJJBLUHJGJJDU-UHFFFAOYSA-N
MW367.52 g/mol
LogP2.30
Rot. Bonds7

About N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide

N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide (PubChem CID 55983080) has the molecular formula C18H29N3O3S and a molecular weight of 367.52 g/mol. Its IUPAC name is N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
PubChem CID55983080
Molecular FormulaC18H29N3O3S
Molecular Weight367.52 g/mol
Exact Mass367.19
IUPAC NameN,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide
SMILESCCN(CC)C(=O)C1(NC(=O)CCn2c(C)csc2=O)CCCCC1
InChIInChI=1S/C18H29N3O3S/c1-4-20(5-2)16(23)18(10-7-6-8-11-18)19-15(22)9-12-21-14(3)13-25-17(21)24/h13H,4-12H2,1-3H3,(H,19,22)
InChIKeyLJJJBLUHJGJJDU-UHFFFAOYSA-N
XLogP2.30
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
The IUPAC name of N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide (CID 55983080) is N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
The canonical SMILES for N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide is CCN(CC)C(=O)C1(NC(=O)CCn2c(C)csc2=O)CCCCC1.
What is the InChIKey of N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
The InChIKey is LJJJBLUHJGJJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3S/c1-4-20(5-2)16(23)18(10-7-6-8-11-18)19-15(22)9-12-21-14(3)13-25-17(21)24/h13H,4-12H2,1-3H3,(H,19,22).
What are the key properties of N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide?
N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 55983080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).