3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol

C10H19N3OS — CID 115592480

IUPAC3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cnc(N(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-8(7-14)4-11-5-9-6-12-10(15-9)13(2)3/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyYWWQEPKPWWSYAV-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.93
Rot. Bonds6

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

3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol (PubChem CID 115592480) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol
PubChem CID115592480
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol
SMILESCC(CO)CNCc1cnc(N(C)C)s1
InChIInChI=1S/C10H19N3OS/c1-8(7-14)4-11-5-9-6-12-10(15-9)13(2)3/h6,8,11,14H,4-5,7H2,1-3H3
InChIKeyYWWQEPKPWWSYAV-UHFFFAOYSA-N
XLogP0.93
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol?
The IUPAC name of 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol (CID 115592480) is 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol is CC(CO)CNCc1cnc(N(C)C)s1.
What is the InChIKey of 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol?
The InChIKey is YWWQEPKPWWSYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(7-14)4-11-5-9-6-12-10(15-9)13(2)3/h6,8,11,14H,4-5,7H2,1-3H3.
What are the key properties of 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol?
3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol has a molecular weight of 229.35 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(dimethylamino)-1,3-thiazol-5-yl]methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 115592480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).