2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride

C6H11ClN2O2S — CID 18527632

IUPAC2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride
SMILESCC1C[NH+]=C(NCC(=O)O)S1.[Cl-]
InChIInChI=1S/C6H10N2O2S.ClH/c1-4-2-7-6(11-4)8-3-5(9)10;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);1H
InChIKeyFYRLLFNVMHUWDK-UHFFFAOYSA-N
MW210.69 g/mol
LogP-4.76
Rot. Bonds2

About 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride

2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride (PubChem CID 18527632) has the molecular formula C6H11ClN2O2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride.

Molecular Properties

Compound Name2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride
PubChem CID18527632
Molecular FormulaC6H11ClN2O2S
Molecular Weight210.69 g/mol
Exact Mass210.02
IUPAC Name2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride
SMILESCC1C[NH+]=C(NCC(=O)O)S1.[Cl-]
InChIInChI=1S/C6H10N2O2S.ClH/c1-4-2-7-6(11-4)8-3-5(9)10;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);1H
InChIKeyFYRLLFNVMHUWDK-UHFFFAOYSA-N
XLogP-4.76
TPSA63.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 5-4.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride?
The IUPAC name of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride (CID 18527632) is 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride.
What is the SMILES notation for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride?
The canonical SMILES for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride is CC1C[NH+]=C(NCC(=O)O)S1.[Cl-].
What is the InChIKey of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride?
The InChIKey is FYRLLFNVMHUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S.ClH/c1-4-2-7-6(11-4)8-3-5(9)10;/h4H,2-3H2,1H3,(H,7,8)(H,9,10);1H.
What are the key properties of 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride?
2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride has a molecular weight of 210.69 g/mol, XLogP of -4.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4,5-dihydro-1,3-thiazol-3-ium-2-yl)amino]acetic acid chloride is sourced from PubChem (CID 18527632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).