2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride

C10H19ClN4OS — CID 120897609

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
SMILESCCNC(=O)CN(CC)Cc1cnc(N)s1.Cl
InChIInChI=1S/C10H18N4OS.ClH/c1-3-12-9(15)7-14(4-2)6-8-5-13-10(11)16-8;/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,15);1H
InChIKeyKIGKZOBFFGBAGA-UHFFFAOYSA-N
MW278.81 g/mol
LogP1.11
Rot. Bonds6

About 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride

2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride (PubChem CID 120897609) has the molecular formula C10H19ClN4OS and a molecular weight of 278.81 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
PubChem CID120897609
Molecular FormulaC10H19ClN4OS
Molecular Weight278.81 g/mol
Exact Mass278.10
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride
SMILESCCNC(=O)CN(CC)Cc1cnc(N)s1.Cl
InChIInChI=1S/C10H18N4OS.ClH/c1-3-12-9(15)7-14(4-2)6-8-5-13-10(11)16-8;/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,15);1H
InChIKeyKIGKZOBFFGBAGA-UHFFFAOYSA-N
XLogP1.11
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]propanoate
CID 120899079
5-[[ethyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120901421
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
CID 79771358
2-[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]-N-(4-chlorophenyl)acetamide
CID 120900436
5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-thiazol-2-amine
CID 79772688
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
ethyl 2-[(2-amino-1,3-thiazol-5-yl)methyl-(2-methylpropyl)amino]acetate;hydrochloride
CID 120898778
2-[ethyl-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 103104146
N'-[(2-amino-1,3-thiazol-5-yl)methyl]-N,N-diethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 120898753
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-1-(4-methylphenyl)ethanol;hydrochloride
CID 120901014
5-[[ethyl(2-thiophen-2-ylethyl)amino]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898756
2-(2-amino-1,3-thiazol-5-yl)-N-methylacetamide
CID 43840159

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride (CID 120897609) is 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride is CCNC(=O)CN(CC)Cc1cnc(N)s1.Cl.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride?
The InChIKey is KIGKZOBFFGBAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS.ClH/c1-3-12-9(15)7-14(4-2)6-8-5-13-10(11)16-8;/h5H,3-4,6-7H2,1-2H3,(H2,11,13)(H,12,15);1H.
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride?
2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride has a molecular weight of 278.81 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl-ethylamino]-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 120897609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).