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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(1,1-dioxothian-3-yl)amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 63923894
5-[(cyclopentylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665239
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 79358881
4-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methylamino]pyrrolidin-2-one
CID 106183182
5-[(dicyclopropylmethylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 43665172
5-[[[(1R)-1-cycloheptylethyl]amino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 81388637
5-[(ethoxyamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 82710285
4-methoxy-N,N-dimethyl-5-[[(2,2,3,3-tetramethylcyclopropyl)methylamino]methyl]-1,3-thiazol-2-amine
CID 79352826
4-methoxy-N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 43665141
4-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]cyclohexane-1,4-diamine
CID 55062386
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 63896681
5-[(2,3-dimethylbutylamino)methyl]-4-methoxy-N,N-dimethyl-1,3-thiazol-2-amine
CID 64569644

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).