N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine

C13H22N2S — CID 114899207

IUPACN-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
SMILESCc1ncsc1CCC(C)CNC1CCC1
InChIInChI=1S/C13H22N2S/c1-10(8-14-12-4-3-5-12)6-7-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyKNIMPRLNOGGDIS-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.16
Rot. Bonds6

About N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine

N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine (PubChem CID 114899207) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
PubChem CID114899207
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine
SMILESCc1ncsc1CCC(C)CNC1CCC1
InChIInChI=1S/C13H22N2S/c1-10(8-14-12-4-3-5-12)6-7-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3
InChIKeyKNIMPRLNOGGDIS-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]cyclopropanamine
CID 62444769
2-methyl-4-(4-methyl-1,3-thiazol-5-yl)-N-propylbutan-1-amine
CID 62528685
N-tert-butyl-2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-1-amine
CID 62531100
N-cyclopropyl-N',2-dimethyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 63838775
N-[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]butyl]cyclopropanamine
CID 62445140
N-[(4-methyl-1,3-thiazol-5-yl)methyl]cycloheptanamine
CID 60983764
5-(4-chloro-3-cyclopentylbutyl)-4-methyl-1,3-thiazole
CID 112570415
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
9-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470686
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
3-methyl-5-(4-methyl-1,3-thiazol-5-yl)pentan-2-ol
CID 79424726
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine?
The IUPAC name of N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine (CID 114899207) is N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine.
What is the SMILES notation for N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine?
The canonical SMILES for N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine is Cc1ncsc1CCC(C)CNC1CCC1.
What is the InChIKey of N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine?
The InChIKey is KNIMPRLNOGGDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-10(8-14-12-4-3-5-12)6-7-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3.
What are the key properties of N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine?
N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine has a molecular weight of 238.40 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butyl]cyclobutanamine is sourced from PubChem (CID 114899207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).