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

C13H22N2S — CID 115680460

IUPACN-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCC(C)c1nc(CNCC2(C)CCC2)cs1
InChIInChI=1S/C13H22N2S/c1-10(2)12-15-11(8-16-12)7-14-9-13(3)5-4-6-13/h8,10,14H,4-7,9H2,1-3H3
InChIKeyMPFYZJTZHQMQFW-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.55
Rot. Bonds5

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

N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 115680460) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
PubChem CID115680460
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine
SMILESCC(C)c1nc(CNCC2(C)CCC2)cs1
InChIInChI=1S/C13H22N2S/c1-10(2)12-15-11(8-16-12)7-14-9-13(3)5-4-6-13/h8,10,14H,4-7,9H2,1-3H3
InChIKeyMPFYZJTZHQMQFW-UHFFFAOYSA-N
XLogP3.55
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.55
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
1-cyclobutyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine;hydrochloride
CID 115595016
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 113362782
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
N-[(1-methylcyclohexyl)methyl]-1-(1,3-thiazol-4-yl)methanamine
CID 103753051
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propanamide
CID 115919637
3-methoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine;hydrochloride
CID 115589584
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopentan-1-amine
CID 115615912
1-(3-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 87038246
N',2,2,3,3-pentamethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]azetidine-1-carboximidamide;hydroiodide
CID 109453853

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine (CID 115680460) is N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine is CC(C)c1nc(CNCC2(C)CCC2)cs1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is MPFYZJTZHQMQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(2)12-15-11(8-16-12)7-14-9-13(3)5-4-6-13/h8,10,14H,4-7,9H2,1-3H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine?
N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 238.40 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 115680460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).