5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

C12H18ClN3S2 — CID 120898756

IUPAC5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CCc1cccs1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H17N3S2.ClH/c1-2-15(6-5-10-4-3-7-16-10)9-11-8-14-12(13)17-11;/h3-4,7-8H,2,5-6,9H2,1H3,(H2,13,14);1H
InChIKeyOEPVDWNSSHDHNK-UHFFFAOYSA-N
MW303.88 g/mol
LogP3.27
Rot. Bonds6

About 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120898756) has the molecular formula C12H18ClN3S2 and a molecular weight of 303.88 g/mol. Its IUPAC name is 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120898756
Molecular FormulaC12H18ClN3S2
Molecular Weight303.88 g/mol
Exact Mass303.06
IUPAC Name5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCN(CCc1cccs1)Cc1cnc(N)s1.Cl
InChIInChI=1S/C12H17N3S2.ClH/c1-2-15(6-5-10-4-3-7-16-10)9-11-8-14-12(13)17-11;/h3-4,7-8H,2,5-6,9H2,1H3,(H2,13,14);1H
InChIKeyOEPVDWNSSHDHNK-UHFFFAOYSA-N
XLogP3.27
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.88
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]pyridin-2-amine;hydrochloride
CID 75509584
5-[[prop-2-enyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897652
4-[2-[ethyl(thiophen-2-ylmethyl)amino]ethyl]-1,3-thiazol-2-amine
CID 65484257
methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
CID 120899079
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120898753
5-[[(3,4-dichlorophenyl)methyl-ethylamino]methyl]-1,3-thiazol-2-amine
CID 120902910
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
2-[ethyl(2-thiophen-2-ylethyl)amino]ethanethioamide
CID 63775676
5-[[2-(3-fluorophenyl)ethyl-propylamino]methyl]-1,3-thiazol-2-amine
CID 120900579
2-[(2-amino-1,3-thiazol-5-yl)methyl-methylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 120900523
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
CID 120897609

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120898756) is 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is CCN(CCc1cccs1)Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is OEPVDWNSSHDHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2.ClH/c1-2-15(6-5-10-4-3-7-16-10)9-11-8-14-12(13)17-11;/h3-4,7-8H,2,5-6,9H2,1H3,(H2,13,14);1H.
What are the key properties of 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 303.88 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120898756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).