N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine

C10H18N2S — CID 114368513

IUPACN-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1scnc1CC(C)C
InChIInChI=1S/C10H18N2S/c1-4-11-6-10-9(5-8(2)3)12-7-13-10/h7-8,11H,4-6H2,1-3H3
InChIKeyMFCNOYQFAFPMBK-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.45
Rot. Bonds5

About N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine

N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 114368513) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID114368513
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1scnc1CC(C)C
InChIInChI=1S/C10H18N2S/c1-4-11-6-10-9(5-8(2)3)12-7-13-10/h7-8,11H,4-6H2,1-3H3
InChIKeyMFCNOYQFAFPMBK-UHFFFAOYSA-N
XLogP2.45
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 114368513) is N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1scnc1CC(C)C.
What is the InChIKey of N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is MFCNOYQFAFPMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-4-11-6-10-9(5-8(2)3)12-7-13-10/h7-8,11H,4-6H2,1-3H3.
What are the key properties of N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 198.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 114368513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).