1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride

C12H21ClN2S — CID 115595016

IUPAC1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
SMILESCC(C)c1nc(CNCC2CCC2)cs1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-9(2)12-14-11(8-15-12)7-13-6-10-4-3-5-10;/h8-10,13H,3-7H2,1-2H3;1H
InChIKeyDWRGCGKIBPCQKP-UHFFFAOYSA-N
MW260.83 g/mol
LogP3.58
Rot. Bonds5

About 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride

1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride (PubChem CID 115595016) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
PubChem CID115595016
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
SMILESCC(C)c1nc(CNCC2CCC2)cs1.Cl
InChIInChI=1S/C12H20N2S.ClH/c1-9(2)12-14-11(8-15-12)7-13-6-10-4-3-5-10;/h8-10,13H,3-7H2,1-2H3;1H
InChIKeyDWRGCGKIBPCQKP-UHFFFAOYSA-N
XLogP3.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 115615912
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
CID 115680460
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclohexanecarboxamide
CID 110728045
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 55168538
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 63046471
3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654558
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride (CID 115595016) is 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride is CC(C)c1nc(CNCC2CCC2)cs1.Cl.
What is the InChIKey of 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
The InChIKey is DWRGCGKIBPCQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S.ClH/c1-9(2)12-14-11(8-15-12)7-13-6-10-4-3-5-10;/h8-10,13H,3-7H2,1-2H3;1H.
What are the key properties of 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride?
1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride has a molecular weight of 260.83 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 115595016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).