5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

C12H21N3S — CID 115690277

IUPAC5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNCCC2CCC2)s1
InChIInChI=1S/C12H21N3S/c1-15(2)12-14-9-11(16-12)8-13-7-6-10-4-3-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyBMGQVQSCTYJMHN-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds6

About 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine

5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (PubChem CID 115690277) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
PubChem CID115690277
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
SMILESCN(C)c1ncc(CNCCC2CCC2)s1
InChIInChI=1S/C12H21N3S/c1-15(2)12-14-9-11(16-12)8-13-7-6-10-4-3-5-10/h9-10,13H,3-8H2,1-2H3
InChIKeyBMGQVQSCTYJMHN-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-cyclopropylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115656457
2-cyclopentyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 60983544
N,N-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115587078
N,N-dimethyl-5-[(thian-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115676041
5-[(3-ethoxypropylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine;hydrochloride
CID 115587033
5-[(tert-butylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 61037566
N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115596007
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
N-(cyclohexylmethyl)-N-methyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62752753
3-[[[2-(diethylamino)-1,3-thiazol-5-yl]methylamino]methyl]cyclohexan-1-ol
CID 103699816
N-cyclopentyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 62751285
3-cyclopropyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115639558

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine (CID 115690277) is 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is CN(C)c1ncc(CNCCC2CCC2)s1.
What is the InChIKey of 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
The InChIKey is BMGQVQSCTYJMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-15(2)12-14-9-11(16-12)8-13-7-6-10-4-3-5-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine?
5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclobutylethylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 115690277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).