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

C13H16N2S2 — CID 116891005

IUPACN-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine
SMILESCNCC1(c2csc(-c3cccs3)n2)CCC1
InChIInChI=1S/C13H16N2S2/c1-14-9-13(5-3-6-13)11-8-17-12(15-11)10-4-2-7-16-10/h2,4,7-8,14H,3,5-6,9H2,1H3
InChIKeySGZDKGIWMGFFPR-UHFFFAOYSA-N
MW264.42 g/mol
LogP3.51
Rot. Bonds4

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

N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine (PubChem CID 116891005) has the molecular formula C13H16N2S2 and a molecular weight of 264.42 g/mol. Its IUPAC name is N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine
PubChem CID116891005
Molecular FormulaC13H16N2S2
Molecular Weight264.42 g/mol
Exact Mass264.08
IUPAC NameN-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine
SMILESCNCC1(c2csc(-c3cccs3)n2)CCC1
InChIInChI=1S/C13H16N2S2/c1-14-9-13(5-3-6-13)11-8-17-12(15-11)10-4-2-7-16-10/h2,4,7-8,14H,3,5-6,9H2,1H3
InChIKeySGZDKGIWMGFFPR-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
CID 136988965
1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutane-1-carboxylic acid
CID 116891023
[4-[[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclopropyl]methyl]phenyl]sulfamic acid
CID 161018253
N-methyl-1-[1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanamine
CID 116890905
N-[(1-phenylcyclopentyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 38139186
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
2-methoxy-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]ethanamine
CID 82515813
1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-ol
CID 115089100
2-methyl-4-(2-thiophen-2-yl-1,3-thiazol-4-yl)butan-2-amine
CID 116888514
3-methyl-1-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 111421916
(2R)-N-cyclopentyl-2-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
CID 95579076

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine (CID 116891005) is N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine is CNCC1(c2csc(-c3cccs3)n2)CCC1.
What is the InChIKey of N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
The InChIKey is SGZDKGIWMGFFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S2/c1-14-9-13(5-3-6-13)11-8-17-12(15-11)10-4-2-7-16-10/h2,4,7-8,14H,3,5-6,9H2,1H3.
What are the key properties of N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine?
N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine has a molecular weight of 264.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116891005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).