1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine

C11H18N2S — CID 116969393

IUPAC1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCCc1csc(CC2(CNC)CC2)n1
InChIInChI=1S/C11H18N2S/c1-3-9-7-14-10(13-9)6-11(4-5-11)8-12-2/h7,12H,3-6,8H2,1-2H3
InChIKeyNHFBQHNBCWKIRS-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.25
Rot. Bonds5

About 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine

1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine (PubChem CID 116969393) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine
PubChem CID116969393
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine
SMILESCCc1csc(CC2(CNC)CC2)n1
InChIInChI=1S/C11H18N2S/c1-3-9-7-14-10(13-9)6-11(4-5-11)8-12-2/h7,12H,3-6,8H2,1-2H3
InChIKeyNHFBQHNBCWKIRS-UHFFFAOYSA-N
XLogP2.25
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine (CID 116969393) is 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine is CCc1csc(CC2(CNC)CC2)n1.
What is the InChIKey of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine?
The InChIKey is NHFBQHNBCWKIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-9-7-14-10(13-9)6-11(4-5-11)8-12-2/h7,12H,3-6,8H2,1-2H3.
What are the key properties of 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine?
1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine has a molecular weight of 210.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethyl-1,3-thiazol-2-yl)methyl]cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 116969393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).