1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol

C12H21N3OS — CID 111114578

IUPAC1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
SMILESCc1nc(N(C)C)sc1CNCC1(O)CCC1
InChIInChI=1S/C12H21N3OS/c1-9-10(17-11(14-9)15(2)3)7-13-8-12(16)5-4-6-12/h13,16H,4-8H2,1-3H3
InChIKeyZZDHDHZUGPFKFN-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.52
Rot. Bonds5

About 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol

1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol (PubChem CID 111114578) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
PubChem CID111114578
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC Name1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol
SMILESCc1nc(N(C)C)sc1CNCC1(O)CCC1
InChIInChI=1S/C12H21N3OS/c1-9-10(17-11(14-9)15(2)3)7-13-8-12(16)5-4-6-12/h13,16H,4-8H2,1-3H3
InChIKeyZZDHDHZUGPFKFN-UHFFFAOYSA-N
XLogP1.52
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
CID 111629696
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 111110353
5-[(3-fluoropropylamino)methyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 115732929
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 111421913
N,N,4-trimethyl-5-[(2-methylsulfanylethylamino)methyl]-1,3-thiazol-2-amine
CID 115600609
N,N,4-trimethyl-5-[(2-methylsulfinylethylamino)methyl]-1,3-thiazol-2-amine
CID 115632590
N,N,4-trimethyl-5-[[(2-methylcyclopropyl)amino]methyl]-1,3-thiazol-2-amine
CID 115614563
[2-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]cyclohexyl]methanol
CID 111440242
5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
1-[[(4-methyl-1,2,5-oxadiazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 65111678
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 111457678

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol (CID 111114578) is 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol is Cc1nc(N(C)C)sc1CNCC1(O)CCC1.
What is the InChIKey of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
The InChIKey is ZZDHDHZUGPFKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-10(17-11(14-9)15(2)3)7-13-8-12(16)5-4-6-12/h13,16H,4-8H2,1-3H3.
What are the key properties of 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol?
1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol has a molecular weight of 255.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]cyclobutan-1-ol is sourced from PubChem (CID 111114578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).