4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide

C12H18N4O2S — CID 52905788

IUPAC4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide
SMILESCNC(=O)c1nsc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C12H18N4O2S/c1-14-11(17)9-8(13)10(19-16-9)12(18)15-7-5-3-2-4-6-7/h7H,2-6,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyWBNVGZIETNEXHI-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.15
Rot. Bonds3

About 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide

4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide (PubChem CID 52905788) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide.

Molecular Properties

Compound Name4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide
PubChem CID52905788
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC Name4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide
SMILESCNC(=O)c1nsc(C(=O)NC2CCCCC2)c1N
InChIInChI=1S/C12H18N4O2S/c1-14-11(17)9-8(13)10(19-16-9)12(18)15-7-5-3-2-4-6-7/h7H,2-6,13H2,1H3,(H,14,17)(H,15,18)
InChIKeyWBNVGZIETNEXHI-UHFFFAOYSA-N
XLogP1.15
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide?
The IUPAC name of 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide (CID 52905788) is 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide.
What is the SMILES notation for 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide?
The canonical SMILES for 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide is CNC(=O)c1nsc(C(=O)NC2CCCCC2)c1N.
What is the InChIKey of 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide?
The InChIKey is WBNVGZIETNEXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-14-11(17)9-8(13)10(19-16-9)12(18)15-7-5-3-2-4-6-7/h7H,2-6,13H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide?
4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide has a molecular weight of 282.37 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-N-cyclohexyl-3-N-methyl-1,2-thiazole-3,5-dicarboxamide is sourced from PubChem (CID 52905788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).