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

C13H23N3OS — CID 111457483

IUPAC3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESCc1nc(N(C)C)sc1CNC(CCO)C1CC1
InChIInChI=1S/C13H23N3OS/c1-9-12(18-13(15-9)16(2)3)8-14-11(6-7-17)10-4-5-10/h10-11,14,17H,4-8H2,1-3H3
InChIKeyDRDIXUVYLIULES-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.77
Rot. Bonds7

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

3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol (PubChem CID 111457483) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol.

Molecular Properties

Compound Name3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol
PubChem CID111457483
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol
SMILESCc1nc(N(C)C)sc1CNC(CCO)C1CC1
InChIInChI=1S/C13H23N3OS/c1-9-12(18-13(15-9)16(2)3)8-14-11(6-7-17)10-4-5-10/h10-11,14,17H,4-8H2,1-3H3
InChIKeyDRDIXUVYLIULES-UHFFFAOYSA-N
XLogP1.77
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The IUPAC name of 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol (CID 111457483) is 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol.
What is the SMILES notation for 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The canonical SMILES for 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol is Cc1nc(N(C)C)sc1CNC(CCO)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol?
The InChIKey is DRDIXUVYLIULES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-9-12(18-13(15-9)16(2)3)8-14-11(6-7-17)10-4-5-10/h10-11,14,17H,4-8H2,1-3H3.
What are the key properties of 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol?
3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol has a molecular weight of 269.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol is sourced from PubChem (CID 111457483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).