N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine

C10H16N2S — CID 62396376

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCCc1nc(CNC2CC2C)cs1
InChIInChI=1S/C10H16N2S/c1-3-10-12-8(6-13-10)5-11-9-4-7(9)2/h6-7,9,11H,3-5H2,1-2H3
InChIKeyVNVQCVIOWJCKFJ-UHFFFAOYSA-N
MW196.32 g/mol
LogP2.20
Rot. Bonds4

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

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine (PubChem CID 62396376) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
PubChem CID62396376
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine
SMILESCCc1nc(CNC2CC2C)cs1
InChIInChI=1S/C10H16N2S/c1-3-10-12-8(6-13-10)5-11-9-4-7(9)2/h6-7,9,11H,3-5H2,1-2H3
InChIKeyVNVQCVIOWJCKFJ-UHFFFAOYSA-N
XLogP2.20
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine (CID 62396376) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine is CCc1nc(CNC2CC2C)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
The InChIKey is VNVQCVIOWJCKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-10-12-8(6-13-10)5-11-9-4-7(9)2/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine has a molecular weight of 196.32 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62396376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).