acetic acid;1,3-thiazol-2-amine

C5H8N2O2S — CID 87186563

IUPACacetic acid;1,3-thiazol-2-amine
SMILESCC(=O)O.Nc1nccs1
InChIInChI=1S/C3H4N2S.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H,(H2,4,5);1H3,(H,3,4)
InChIKeyPQAZQCDCOCQVOU-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.82
Rot. Bonds

About acetic acid;1,3-thiazol-2-amine

acetic acid;1,3-thiazol-2-amine (PubChem CID 87186563) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is acetic acid;1,3-thiazol-2-amine.

Molecular Properties

Compound Nameacetic acid;1,3-thiazol-2-amine
PubChem CID87186563
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Nameacetic acid;1,3-thiazol-2-amine
SMILESCC(=O)O.Nc1nccs1
InChIInChI=1S/C3H4N2S.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H,(H2,4,5);1H3,(H,3,4)
InChIKeyPQAZQCDCOCQVOU-UHFFFAOYSA-N
XLogP0.82
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Thiazolecarbamic acid, ethyl ester
CID 77241
[[2-(Acetylamino)-5-thiazolyl]thio]acetic acid
CID 5329677
3-((1,3-Thiazol-2-yl)amino)propanoic acid
CID 10559109
2-(2-Amino-1,3-thiazol-3-ium-3-yl)acetate
CID 2249315
2-((1,3-Thiazol-2-yl)amino)acetic acid
CID 302150
2-Thiazolealanine
CID 5488184
3-Azapentanedioic acid, 3-(2-thiazolyl)-
CID 3115033
Methyl 1,3-thiazol-2-ylcarbamate
CID 686488
1,3-Thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87375406
ethyl N-[(1,3-thiazol-2-yl)carbamothioyl]carbamate
CID 11413596
Ethyl 2-(2-amino-1,3-thiazol-3-ium-3-yl)acetate bromide
CID 15685236
Thiazole acetic acid
CID 67461844

Frequently Asked Questions

What is the IUPAC name of acetic acid;1,3-thiazol-2-amine?
The IUPAC name of acetic acid;1,3-thiazol-2-amine (CID 87186563) is acetic acid;1,3-thiazol-2-amine.
What is the SMILES notation for acetic acid;1,3-thiazol-2-amine?
The canonical SMILES for acetic acid;1,3-thiazol-2-amine is CC(=O)O.Nc1nccs1.
What is the InChIKey of acetic acid;1,3-thiazol-2-amine?
The InChIKey is PQAZQCDCOCQVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2S.C2H4O2/c4-3-5-1-2-6-3;1-2(3)4/h1-2H,(H2,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;1,3-thiazol-2-amine?
acetic acid;1,3-thiazol-2-amine has a molecular weight of 160.20 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1,3-thiazol-2-amine is sourced from PubChem (CID 87186563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).