2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid

C6H7NO2S2 — CID 21298330

IUPAC2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
SMILESCc1ncsc1C(S)C(=O)O
InChIInChI=1S/C6H7NO2S2/c1-3-5(11-2-7-3)4(10)6(8)9/h2,4,10H,1H3,(H,8,9)
InChIKeyLZOMRFMEUDZCKK-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.51
Rot. Bonds2

About 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid

2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid (PubChem CID 21298330) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
PubChem CID21298330
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid
SMILESCc1ncsc1C(S)C(=O)O
InChIInChI=1S/C6H7NO2S2/c1-3-5(11-2-7-3)4(10)6(8)9/h2,4,10H,1H3,(H,8,9)
InChIKeyLZOMRFMEUDZCKK-UHFFFAOYSA-N
XLogP1.51
TPSA50.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylamino)-2-(4-methyl-1,3-thiazol-5-yl)acetic acid
CID 102765843
2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetic acid
CID 102765838
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
ethyl (3R)-2,3-dihydroxy-3-(4-methyl-1,3-thiazol-5-yl)propanoate
CID 175760966
(1R)-2-chloro-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 101008965
methyl 2-methyl-2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]propanoate
CID 43787224
(S)-(4-methyl-1,3-thiazol-5-yl)-phenylmethanamine
CID 10130445
N-methyl-1-(4-methyl-1,3-thiazol-5-yl)prop-2-yn-1-amine
CID 105158458
ethyl 2-(4-methyl-1,3-thiazol-5-yl)-2-(propylamino)acetate
CID 102765869
ethyl 2-anilino-2-(4-methyl-1,3-thiazol-5-yl)acetate
CID 102765950
1-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
CID 82416051
2-cyclopentyl-1-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 105090377

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid?
The IUPAC name of 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid (CID 21298330) is 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid is Cc1ncsc1C(S)C(=O)O.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid?
The InChIKey is LZOMRFMEUDZCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c1-3-5(11-2-7-3)4(10)6(8)9/h2,4,10H,1H3,(H,8,9).
What are the key properties of 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid?
2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid has a molecular weight of 189.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-5-yl)-2-sulfanylacetic acid is sourced from PubChem (CID 21298330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).