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

C13H17N3S — CID 136988965

IUPACN-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
SMILESCNCC1(c2csc(-c3ccc[nH]3)n2)CCC1
InChIInChI=1S/C13H17N3S/c1-14-9-13(5-3-6-13)11-8-17-12(16-11)10-4-2-7-15-10/h2,4,7-8,14-15H,3,5-6,9H2,1H3
InChIKeyUYGQUXSESUYXLT-UHFFFAOYSA-N
MW247.37 g/mol
LogP2.78
Rot. Bonds4

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

N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine (PubChem CID 136988965) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
PubChem CID136988965
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC NameN-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine
SMILESCNCC1(c2csc(-c3ccc[nH]3)n2)CCC1
InChIInChI=1S/C13H17N3S/c1-14-9-13(5-3-6-13)11-8-17-12(16-11)10-4-2-7-15-10/h2,4,7-8,14-15H,3,5-6,9H2,1H3
InChIKeyUYGQUXSESUYXLT-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[1-(2-thiophen-2-yl-1,3-thiazol-4-yl)cyclobutyl]methanamine
CID 116891005
N-methyl-1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]methanamine
CID 137013305
N-methyl-1-[4-(2-phenyl-1,3-thiazol-4-yl)oxan-4-yl]methanamine
CID 123741269
[1-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]cyclobutyl]methanol
CID 136988709
N-methyl-1-[1-(2-propan-2-yl-1,3-thiazol-4-yl)cyclopropyl]methanamine
CID 116890905
N-methyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 104513360
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1-(1H-pyrrol-2-yl)methanamine
CID 115246235
[1-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]cyclobutyl]methanol
CID 116891056
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
N-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-1H-pyrrol-2-amine
CID 115246125
2-[4-methyl-2-(1H-pyrrol-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 136988524
N-methyl-1-(1-pyridin-3-ylcyclobutyl)methanamine
CID 80522291

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine?
The IUPAC name of N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine (CID 136988965) is N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine is CNCC1(c2csc(-c3ccc[nH]3)n2)CCC1.
What is the InChIKey of N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine?
The InChIKey is UYGQUXSESUYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-14-9-13(5-3-6-13)11-8-17-12(16-11)10-4-2-7-15-10/h2,4,7-8,14-15H,3,5-6,9H2,1H3.
What are the key properties of N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine?
N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine has a molecular weight of 247.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(1H-pyrrol-2-yl)-1,3-thiazol-4-yl]cyclobutyl]methanamine is sourced from PubChem (CID 136988965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).