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

C10H11Cl3N2S2 — CID 120558434

IUPACN-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2cc(Cl)sc2Cl)cs1.Cl
InChIInChI=1S/C10H10Cl2N2S2.ClH/c1-2-13-4-9-14-7(5-15-9)6-3-8(11)16-10(6)12;/h3,5,13H,2,4H2,1H3;1H
InChIKeyYRTNTQYHLTVWNJ-UHFFFAOYSA-N
MW329.71 g/mol
LogP4.71
Rot. Bonds4

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

N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (PubChem CID 120558434) has the molecular formula C10H11Cl3N2S2 and a molecular weight of 329.71 g/mol. Its IUPAC name is N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
PubChem CID120558434
Molecular FormulaC10H11Cl3N2S2
Molecular Weight329.71 g/mol
Exact Mass327.94
IUPAC NameN-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
SMILESCCNCc1nc(-c2cc(Cl)sc2Cl)cs1.Cl
InChIInChI=1S/C10H10Cl2N2S2.ClH/c1-2-13-4-9-14-7(5-15-9)6-3-8(11)16-10(6)12;/h3,5,13H,2,4H2,1H3;1H
InChIKeyYRTNTQYHLTVWNJ-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.71
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The IUPAC name of N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride (CID 120558434) is N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is CCNCc1nc(-c2cc(Cl)sc2Cl)cs1.Cl.
What is the InChIKey of N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
The InChIKey is YRTNTQYHLTVWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2S2.ClH/c1-2-13-4-9-14-7(5-15-9)6-3-8(11)16-10(6)12;/h3,5,13H,2,4H2,1H3;1H.
What are the key properties of N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride?
N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride has a molecular weight of 329.71 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride is sourced from PubChem (CID 120558434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).