3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol

C12H21N3OS2 — CID 111629696

IUPAC3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
SMILESCc1nc(N(C)C)sc1CNCC1(O)CCSC1
InChIInChI=1S/C12H21N3OS2/c1-9-10(18-11(14-9)15(2)3)6-13-7-12(16)4-5-17-8-12/h13,16H,4-8H2,1-3H3
InChIKeyOZGUTGCMNOZLPJ-UHFFFAOYSA-N
MW287.45 g/mol
LogP1.48
Rot. Bonds5

About 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol

3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol (PubChem CID 111629696) has the molecular formula C12H21N3OS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol.

Molecular Properties

Compound Name3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
PubChem CID111629696
Molecular FormulaC12H21N3OS2
Molecular Weight287.45 g/mol
Exact Mass287.11
IUPAC Name3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol
SMILESCc1nc(N(C)C)sc1CNCC1(O)CCSC1
InChIInChI=1S/C12H21N3OS2/c1-9-10(18-11(14-9)15(2)3)6-13-7-12(16)4-5-17-8-12/h13,16H,4-8H2,1-3H3
InChIKeyOZGUTGCMNOZLPJ-UHFFFAOYSA-N
XLogP1.48
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol?
The IUPAC name of 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol (CID 111629696) is 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol.
What is the SMILES notation for 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol?
The canonical SMILES for 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol is Cc1nc(N(C)C)sc1CNCC1(O)CCSC1.
What is the InChIKey of 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol?
The InChIKey is OZGUTGCMNOZLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS2/c1-9-10(18-11(14-9)15(2)3)6-13-7-12(16)4-5-17-8-12/h13,16H,4-8H2,1-3H3.
What are the key properties of 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol?
3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol has a molecular weight of 287.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]methyl]thiolan-3-ol is sourced from PubChem (CID 111629696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).