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

C9H14N2S — CID 61281051

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(C2CC2)n1
InChIInChI=1S/C9H14N2S/c1-2-10-5-8-6-12-9(11-8)7-3-4-7/h6-7,10H,2-5H2,1H3
InChIKeyDTLCRRLHKNFOIT-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.13
Rot. Bonds4

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine (PubChem CID 61281051) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
PubChem CID61281051
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
SMILESCCNCc1csc(C2CC2)n1
InChIInChI=1S/C9H14N2S/c1-2-10-5-8-6-12-9(11-8)7-3-4-7/h6-7,10H,2-5H2,1H3
InChIKeyDTLCRRLHKNFOIT-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-ethylbutanamide
CID 75358505
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408
N-[[2-(4-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79980351
1-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115625726
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 97178740
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 115690921
N-[[2-(2-cyclopropylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 79976896

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine (CID 61281051) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine is CCNCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine?
The InChIKey is DTLCRRLHKNFOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-2-10-5-8-6-12-9(11-8)7-3-4-7/h6-7,10H,2-5H2,1H3.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine has a molecular weight of 182.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 61281051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).