4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide

C14H19N3O2S — CID 99621364

IUPAC4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
SMILESNC(=O)C1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C14H19N3O2S/c15-12(18)9-3-5-10(6-4-9)13(19)17-14-16-11(7-20-14)8-1-2-8/h7-10H,1-6H2,(H2,15,18)(H,16,17,19)
InChIKeyOKXHFSDCPXOZJW-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.25
Rot. Bonds4

About 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide

4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 99621364) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
PubChem CID99621364
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
SMILESNC(=O)C1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1
InChIInChI=1S/C14H19N3O2S/c15-12(18)9-3-5-10(6-4-9)13(19)17-14-16-11(7-20-14)8-1-2-8/h7-10H,1-6H2,(H2,15,18)(H,16,17,19)
InChIKeyOKXHFSDCPXOZJW-UHFFFAOYSA-N
XLogP2.25
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide (CID 99621364) is 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide is NC(=O)C1CCC(C(=O)Nc2nc(C3CC3)cs2)CC1.
What is the InChIKey of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is OKXHFSDCPXOZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c15-12(18)9-3-5-10(6-4-9)13(19)17-14-16-11(7-20-14)8-1-2-8/h7-10H,1-6H2,(H2,15,18)(H,16,17,19).
What are the key properties of 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 293.39 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-cyclopropyl-1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 99621364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).