4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine

C13H24N4OS — CID 62319971

IUPAC4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
SMILESCOc1nc(N(C)C)sc1CNC1CCC(N)CC1
InChIInChI=1S/C13H24N4OS/c1-17(2)13-16-12(18-3)11(19-13)8-15-10-6-4-9(14)5-7-10/h9-10,15H,4-8,14H2,1-3H3
InChIKeyQDXHJMHDTVROCG-UHFFFAOYSA-N
MW284.43 g/mol
LogP1.58
Rot. Bonds5

About 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine

4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine (PubChem CID 62319971) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
PubChem CID62319971
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine
SMILESCOc1nc(N(C)C)sc1CNC1CCC(N)CC1
InChIInChI=1S/C13H24N4OS/c1-17(2)13-16-12(18-3)11(19-13)8-15-10-6-4-9(14)5-7-10/h9-10,15H,4-8,14H2,1-3H3
InChIKeyQDXHJMHDTVROCG-UHFFFAOYSA-N
XLogP1.58
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine (CID 62319971) is 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine is COc1nc(N(C)C)sc1CNC1CCC(N)CC1.
What is the InChIKey of 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine?
The InChIKey is QDXHJMHDTVROCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-17(2)13-16-12(18-3)11(19-13)8-15-10-6-4-9(14)5-7-10/h9-10,15H,4-8,14H2,1-3H3.
What are the key properties of 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine?
4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine has a molecular weight of 284.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62319971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).