2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide

C7H10ClN3OS — CID 103103685

IUPAC2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(Cl)cs1
InChIInChI=1S/C7H10ClN3OS/c1-2-11(3-6(9)12)7-10-5(8)4-13-7/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyCANXJKJXKBLEJG-UHFFFAOYSA-N
MW219.70 g/mol
LogP1.11
Rot. Bonds4

About 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide

2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide (PubChem CID 103103685) has the molecular formula C7H10ClN3OS and a molecular weight of 219.70 g/mol. Its IUPAC name is 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
PubChem CID103103685
Molecular FormulaC7H10ClN3OS
Molecular Weight219.70 g/mol
Exact Mass219.02
IUPAC Name2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide
SMILESCCN(CC(N)=O)c1nc(Cl)cs1
InChIInChI=1S/C7H10ClN3OS/c1-2-11(3-6(9)12)7-10-5(8)4-13-7/h4H,2-3H2,1H3,(H2,9,12)
InChIKeyCANXJKJXKBLEJG-UHFFFAOYSA-N
XLogP1.11
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.70
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetate
CID 83156794
2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103709
2-[(2-amino-2-oxoethyl)-(4-bromo-1,3-thiazol-2-yl)amino]acetamide
CID 79399792
2-[(6-chloro-5-methylpyrimidin-4-yl)-ethylamino]acetamide
CID 103103651
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103104377
4-chloro-N,N-bis(2-methylpropyl)-1,3-thiazol-2-amine
CID 83157054
2-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]acetamide
CID 89133877
2-[(4-chloro-1,3-thiazol-2-yl)-methylamino]-N-methylacetamide
CID 83155588
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
2-[(4-bromo-1,3-thiazol-2-yl)-ethylamino]-N,N-dimethylacetamide
CID 79400515
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]acetamide
CID 103103708

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide?
The IUPAC name of 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide (CID 103103685) is 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide.
What is the SMILES notation for 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide?
The canonical SMILES for 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide is CCN(CC(N)=O)c1nc(Cl)cs1.
What is the InChIKey of 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide?
The InChIKey is CANXJKJXKBLEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3OS/c1-2-11(3-6(9)12)7-10-5(8)4-13-7/h4H,2-3H2,1H3,(H2,9,12).
What are the key properties of 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide?
2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide has a molecular weight of 219.70 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-1,3-thiazol-2-yl)-ethylamino]acetamide is sourced from PubChem (CID 103103685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).