2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride

C7H13Cl2N3O2S — CID 67707888

IUPAC2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride
SMILESCl.Cl.NCCNC(C(=O)O)c1cscn1
InChIInChI=1S/C7H11N3O2S.2ClH/c8-1-2-9-6(7(11)12)5-3-13-4-10-5;;/h3-4,6,9H,1-2,8H2,(H,11,12);2*1H
InChIKeyUNOMGEZQFDFZSG-UHFFFAOYSA-N
MW274.17 g/mol
LogP0.66
Rot. Bonds5

About 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride

2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride (PubChem CID 67707888) has the molecular formula C7H13Cl2N3O2S and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride.

Molecular Properties

Compound Name2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride
PubChem CID67707888
Molecular FormulaC7H13Cl2N3O2S
Molecular Weight274.17 g/mol
Exact Mass273.01
IUPAC Name2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride
SMILESCl.Cl.NCCNC(C(=O)O)c1cscn1
InChIInChI=1S/C7H11N3O2S.2ClH/c8-1-2-9-6(7(11)12)5-3-13-4-10-5;;/h3-4,6,9H,1-2,8H2,(H,11,12);2*1H
InChIKeyUNOMGEZQFDFZSG-UHFFFAOYSA-N
XLogP0.66
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid
CID 13389287
2-[(4-chlorophenyl)methylamino]-2-(1,3-thiazol-4-yl)acetic acid
CID 155962451
4-amino-4-(1,3-thiazol-4-yl)butanoic acid
CID 82602298
2-fluoro-2-(1,3-thiazol-4-yl)ethanamine
CID 131156691
4-amino-2-(1,3-thiazol-4-ylmethyl)butanoic acid
CID 104681033
3-[1-(1,3-thiazol-4-yl)ethylamino]butanamide
CID 115879478
2-methyl-4-(1,3-thiazol-4-ylmethylcarbamoylamino)butanoic acid
CID 80540931
1,3-thiazol-4-ylmethanediol
CID 59870088
methyl (2S)-2-[1-(1,3-thiazol-4-yl)ethylamino]propanoate
CID 104865936
2-(2-aminoethylamino)propanoic acid;hydrochloride
CID 175693508
bis(1,3-thiazol-4-yl)methylhydrazine
CID 130679105
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride?
The IUPAC name of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride (CID 67707888) is 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride.
What is the SMILES notation for 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride?
The canonical SMILES for 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride is Cl.Cl.NCCNC(C(=O)O)c1cscn1.
What is the InChIKey of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride?
The InChIKey is UNOMGEZQFDFZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S.2ClH/c8-1-2-9-6(7(11)12)5-3-13-4-10-5;;/h3-4,6,9H,1-2,8H2,(H,11,12);2*1H.
What are the key properties of 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride?
2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride has a molecular weight of 274.17 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylamino)-2-(1,3-thiazol-4-yl)acetic acid;dihydrochloride is sourced from PubChem (CID 67707888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).