1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine

C9H14N2S — CID 60696131

IUPAC1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1cscn1)C1CC1
InChIInChI=1S/C9H14N2S/c1-7(8-2-3-8)10-4-9-5-12-6-11-9/h5-8,10H,2-4H2,1H3
InChIKeyAFLVCUBFRKBNAG-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.03
Rot. Bonds4

About 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine

1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine (PubChem CID 60696131) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
PubChem CID60696131
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC Name1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine
SMILESCC(NCc1cscn1)C1CC1
InChIInChI=1S/C9H14N2S/c1-7(8-2-3-8)10-4-9-5-12-6-11-9/h5-8,10H,2-4H2,1H3
InChIKeyAFLVCUBFRKBNAG-UHFFFAOYSA-N
XLogP2.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 64918858
1-(1-propylpiperidin-3-yl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 63829149
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 60713993
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760766
N-(1,3-thiazol-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 60696751
(1S)-1-(4-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 81349492
1-(3,5-dimethylphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78950293
N-(1,3-thiazol-4-ylmethyl)cyclooctanamine
CID 60687158
(1R)-1-(4-bromophenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 78921782
1-ethoxy-3-methyl-N-(1,3-thiazol-4-ylmethyl)butan-2-amine
CID 103271064

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The IUPAC name of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine (CID 60696131) is 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The canonical SMILES for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine is CC(NCc1cscn1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
The InChIKey is AFLVCUBFRKBNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(8-2-3-8)10-4-9-5-12-6-11-9/h5-8,10H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine?
1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine has a molecular weight of 182.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1,3-thiazol-4-ylmethyl)ethanamine is sourced from PubChem (CID 60696131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).