N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine

C14H22N2S — CID 112740363

IUPACN-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine
SMILESCNC1(c2nc(C(C)C)cs2)CCCC2CC21
InChIInChI=1S/C14H22N2S/c1-9(2)12-8-17-13(16-12)14(15-3)6-4-5-10-7-11(10)14/h8-11,15H,4-7H2,1-3H3
InChIKeyIEBXTRAOLSVREF-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.50
Rot. Bonds3

About N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine

N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine (PubChem CID 112740363) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound NameN-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine
PubChem CID112740363
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC NameN-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine
SMILESCNC1(c2nc(C(C)C)cs2)CCCC2CC21
InChIInChI=1S/C14H22N2S/c1-9(2)12-8-17-13(16-12)14(15-3)6-4-5-10-7-11(10)14/h8-11,15H,4-7H2,1-3H3
InChIKeyIEBXTRAOLSVREF-UHFFFAOYSA-N
XLogP3.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine?
The IUPAC name of N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine (CID 112740363) is N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine is CNC1(c2nc(C(C)C)cs2)CCCC2CC21.
What is the InChIKey of N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine?
The InChIKey is IEBXTRAOLSVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-9(2)12-8-17-13(16-12)14(15-3)6-4-5-10-7-11(10)14/h8-11,15H,4-7H2,1-3H3.
What are the key properties of N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine?
N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine has a molecular weight of 250.41 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)bicyclo[4.1.0]heptan-2-amine is sourced from PubChem (CID 112740363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).