(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine

C9H14N2S — CID 130815836

IUPAC(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine
SMILESCCC1(C(N)c2cscn2)CC1
InChIInChI=1S/C9H14N2S/c1-2-9(3-4-9)8(10)7-5-12-6-11-7/h5-6,8H,2-4,10H2,1H3
InChIKeyZITRRBASIVKZNB-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.33
Rot. Bonds3

About (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine

(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine (PubChem CID 130815836) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine
PubChem CID130815836
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine
SMILESCCC1(C(N)c2cscn2)CC1
InChIInChI=1S/C9H14N2S/c1-2-9(3-4-9)8(10)7-5-12-6-11-7/h5-6,8H,2-4,10H2,1H3
InChIKeyZITRRBASIVKZNB-UHFFFAOYSA-N
XLogP2.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine?
The IUPAC name of (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine (CID 130815836) is (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine is CCC1(C(N)c2cscn2)CC1.
What is the InChIKey of (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine?
The InChIKey is ZITRRBASIVKZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-9(3-4-9)8(10)7-5-12-6-11-7/h5-6,8H,2-4,10H2,1H3.
What are the key properties of (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine?
(1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine has a molecular weight of 182.29 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylcyclopropyl)-(1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 130815836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).