2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol

C7H13N3OS2 — CID 137453104

IUPAC2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESC/N=S(\N)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H13N3OS2/c1-7(2,11)6-10-4-5(12-6)13(8)9-3/h4,11H,1-3H3,(H2,8,9)
InChIKeyBNLCBRMAJVPBNE-UHFFFAOYSA-N
MW219.34 g/mol
LogP1.03
Rot. Bonds2

About 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol

2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol (PubChem CID 137453104) has the molecular formula C7H13N3OS2 and a molecular weight of 219.34 g/mol. Its IUPAC name is 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol
PubChem CID137453104
Molecular FormulaC7H13N3OS2
Molecular Weight219.34 g/mol
Exact Mass219.05
IUPAC Name2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol
SMILESC/N=S(\N)c1cnc(C(C)(C)O)s1
InChIInChI=1S/C7H13N3OS2/c1-7(2,11)6-10-4-5(12-6)13(8)9-3/h4,11H,1-3H3,(H2,8,9)
InChIKeyBNLCBRMAJVPBNE-UHFFFAOYSA-N
XLogP1.03
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.34
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The IUPAC name of 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol (CID 137453104) is 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol.
What is the SMILES notation for 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The canonical SMILES for 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol is C/N=S(\N)c1cnc(C(C)(C)O)s1.
What is the InChIKey of 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
The InChIKey is BNLCBRMAJVPBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS2/c1-7(2,11)6-10-4-5(12-6)13(8)9-3/h4,11H,1-3H3,(H2,8,9).
What are the key properties of 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol?
2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol has a molecular weight of 219.34 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(S-amino-N-methylsulfinimidoyl)-1,3-thiazol-2-yl]propan-2-ol is sourced from PubChem (CID 137453104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).