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

C14H16N4O2S2 — CID 2236546

IUPAC1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C14H16N4O2S2/c19-11(17-13-15-5-7-21-13)9-1-2-10(4-3-9)12(20)18-14-16-6-8-22-14/h5-10H,1-4H2,(H,15,17,19)(H,16,18,20)
InChIKeyMGBXTJLSPBQZPB-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.98
Rot. Bonds4

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

1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide (PubChem CID 2236546) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
PubChem CID2236546
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide
SMILESO=C(Nc1nccs1)C1CCC(C(=O)Nc2nccs2)CC1
InChIInChI=1S/C14H16N4O2S2/c19-11(17-13-15-5-7-21-13)9-1-2-10(4-3-9)12(20)18-14-16-6-8-22-14/h5-10H,1-4H2,(H,15,17,19)(H,16,18,20)
InChIKeyMGBXTJLSPBQZPB-UHFFFAOYSA-N
XLogP2.98
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide (CID 2236546) is 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide is O=C(Nc1nccs1)C1CCC(C(=O)Nc2nccs2)CC1.
What is the InChIKey of 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
The InChIKey is MGBXTJLSPBQZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c19-11(17-13-15-5-7-21-13)9-1-2-10(4-3-9)12(20)18-14-16-6-8-22-14/h5-10H,1-4H2,(H,15,17,19)(H,16,18,20).
What are the key properties of 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide?
1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(1,3-thiazol-2-yl)cyclohexane-1,4-dicarboxamide is sourced from PubChem (CID 2236546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).