(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

C8H11BrN4S2 — CID 126736200

IUPAC(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
SMILESCN1SC[C@@](C)(c2nc(Br)cs2)N=C1N
InChIInChI=1S/C8H11BrN4S2/c1-8(6-11-5(9)3-14-6)4-15-13(2)7(10)12-8/h3H,4H2,1-2H3,(H2,10,12)/t8-/m0/s1
InChIKeySPOYSQHINLRTPR-QMMMGPOBSA-N
MW307.24 g/mol
LogP2.03
Rot. Bonds1

About (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine

(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine (PubChem CID 126736200) has the molecular formula C8H11BrN4S2 and a molecular weight of 307.24 g/mol. Its IUPAC name is (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine.

Molecular Properties

Compound Name(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
PubChem CID126736200
Molecular FormulaC8H11BrN4S2
Molecular Weight307.24 g/mol
Exact Mass305.96
IUPAC Name(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine
SMILESCN1SC[C@@](C)(c2nc(Br)cs2)N=C1N
InChIInChI=1S/C8H11BrN4S2/c1-8(6-11-5(9)3-14-6)4-15-13(2)7(10)12-8/h3H,4H2,1-2H3,(H2,10,12)/t8-/m0/s1
InChIKeySPOYSQHINLRTPR-QMMMGPOBSA-N
XLogP2.03
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
The IUPAC name of (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine (CID 126736200) is (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine.
What is the SMILES notation for (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
The canonical SMILES for (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine is CN1SC[C@@](C)(c2nc(Br)cs2)N=C1N.
What is the InChIKey of (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
The InChIKey is SPOYSQHINLRTPR-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H11BrN4S2/c1-8(6-11-5(9)3-14-6)4-15-13(2)7(10)12-8/h3H,4H2,1-2H3,(H2,10,12)/t8-/m0/s1.
What are the key properties of (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine?
(5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine has a molecular weight of 307.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-bromo-1,3-thiazol-2-yl)-2,5-dimethyl-6H-1,2,4-thiadiazin-3-amine is sourced from PubChem (CID 126736200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).