hydroxysulfanyl(1,3-thiazol-2-yl)methanamine

C4H6N2OS2 — CID 143542329

IUPAChydroxysulfanyl(1,3-thiazol-2-yl)methanamine
SMILESNC(SO)c1nccs1
InChIInChI=1S/C4H6N2OS2/c5-3(9-7)4-6-1-2-8-4/h1-3,7H,5H2
InChIKeyPYJJXDNVIGUUBA-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.31
Rot. Bonds2

About hydroxysulfanyl(1,3-thiazol-2-yl)methanamine

hydroxysulfanyl(1,3-thiazol-2-yl)methanamine (PubChem CID 143542329) has the molecular formula C4H6N2OS2 and a molecular weight of 162.24 g/mol. Its IUPAC name is hydroxysulfanyl(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Namehydroxysulfanyl(1,3-thiazol-2-yl)methanamine
PubChem CID143542329
Molecular FormulaC4H6N2OS2
Molecular Weight162.24 g/mol
Exact Mass161.99
IUPAC Namehydroxysulfanyl(1,3-thiazol-2-yl)methanamine
SMILESNC(SO)c1nccs1
InChIInChI=1S/C4H6N2OS2/c5-3(9-7)4-6-1-2-8-4/h1-3,7H,5H2
InChIKeyPYJJXDNVIGUUBA-UHFFFAOYSA-N
XLogP1.31
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(1,3-thiazol-2-yl)ethanol
CID 96733513
(2R)-2-amino-2-(1,3-thiazol-2-yl)acetic acid
CID 22823511
(1S,2S,3R)-2-amino-1-(1,3-thiazol-2-yl)butane-1,3-diol
CID 10607650
2-amino-2-(1,3-thiazol-2-yl)acetonitrile
CID 22329416
(1S)-2-amino-1-(1,3-thiazol-2-yl)ethanol
CID 83004028
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
ethane;1-(1,3-thiazol-2-yl)propan-1-amine
CID 170585159
3-amino-2-(1,3-thiazol-2-yl)propan-1-ol
CID 63216153
3-[amino(1,3-thiazol-2-yl)methyl]phenol
CID 115024716
4-amino-4-(1,3-thiazol-2-yl)butanoic acid
CID 82602307
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
methyl (2R,3R)-2-amino-3-hydroxy-3-(1,3-thiazol-2-yl)propanoate
CID 23243531

Frequently Asked Questions

What is the IUPAC name of hydroxysulfanyl(1,3-thiazol-2-yl)methanamine?
The IUPAC name of hydroxysulfanyl(1,3-thiazol-2-yl)methanamine (CID 143542329) is hydroxysulfanyl(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for hydroxysulfanyl(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for hydroxysulfanyl(1,3-thiazol-2-yl)methanamine is NC(SO)c1nccs1.
What is the InChIKey of hydroxysulfanyl(1,3-thiazol-2-yl)methanamine?
The InChIKey is PYJJXDNVIGUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2OS2/c5-3(9-7)4-6-1-2-8-4/h1-3,7H,5H2.
What are the key properties of hydroxysulfanyl(1,3-thiazol-2-yl)methanamine?
hydroxysulfanyl(1,3-thiazol-2-yl)methanamine has a molecular weight of 162.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxysulfanyl(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 143542329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).