N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine

C9H13ClN2S — CID 107125483

IUPACN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1c1ncc(Cl)s1
InChIInChI=1S/C9H13ClN2S/c1-2-11-4-6-3-7(6)9-12-5-8(10)13-9/h5-7,11H,2-4H2,1H3
InChIKeyVVCXUZPBJKNBDO-UHFFFAOYSA-N
MW216.74 g/mol
LogP2.51
Rot. Bonds4

About N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine

N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine (PubChem CID 107125483) has the molecular formula C9H13ClN2S and a molecular weight of 216.74 g/mol. Its IUPAC name is N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
PubChem CID107125483
Molecular FormulaC9H13ClN2S
Molecular Weight216.74 g/mol
Exact Mass216.05
IUPAC NameN-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1CC1c1ncc(Cl)s1
InChIInChI=1S/C9H13ClN2S/c1-2-11-4-6-3-7(6)9-12-5-8(10)13-9/h5-7,11H,2-4H2,1H3
InChIKeyVVCXUZPBJKNBDO-UHFFFAOYSA-N
XLogP2.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.74
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine (CID 107125483) is N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine is CCNCC1CC1c1ncc(Cl)s1.
What is the InChIKey of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
The InChIKey is VVCXUZPBJKNBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2S/c1-2-11-4-6-3-7(6)9-12-5-8(10)13-9/h5-7,11H,2-4H2,1H3.
What are the key properties of N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine?
N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine has a molecular weight of 216.74 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-chloro-1,3-thiazol-2-yl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 107125483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).