5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine

C8H10N2S2 — CID 62311364

IUPAC5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine
SMILESCC#CCSc1sc(N)nc1C
InChIInChI=1S/C8H10N2S2/c1-3-4-5-11-7-6(2)10-8(9)12-7/h5H2,1-2H3,(H2,9,10)
InChIKeyIWZWCDMFKBVLMQ-UHFFFAOYSA-N
MW198.32 g/mol
LogP2.15
Rot. Bonds2

About 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine

5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine (PubChem CID 62311364) has the molecular formula C8H10N2S2 and a molecular weight of 198.32 g/mol. Its IUPAC name is 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine
PubChem CID62311364
Molecular FormulaC8H10N2S2
Molecular Weight198.32 g/mol
Exact Mass198.03
IUPAC Name5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine
SMILESCC#CCSc1sc(N)nc1C
InChIInChI=1S/C8H10N2S2/c1-3-4-5-11-7-6(2)10-8(9)12-7/h5H2,1-2H3,(H2,9,10)
InChIKeyIWZWCDMFKBVLMQ-UHFFFAOYSA-N
XLogP2.15
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine (CID 62311364) is 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine is CC#CCSc1sc(N)nc1C.
What is the InChIKey of 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine?
The InChIKey is IWZWCDMFKBVLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S2/c1-3-4-5-11-7-6(2)10-8(9)12-7/h5H2,1-2H3,(H2,9,10).
What are the key properties of 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine?
5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine has a molecular weight of 198.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynylsulfanyl-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62311364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).