4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol

C10H18N2OS — CID 115691904

IUPAC4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
SMILESCc1nc(N(C)CCC(C)O)sc1C
InChIInChI=1S/C10H18N2OS/c1-7(13)5-6-12(4)10-11-8(2)9(3)14-10/h7,13H,5-6H2,1-4H3
InChIKeyWAFDWYGJECISMK-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.97
Rot. Bonds4

About 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol

4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol (PubChem CID 115691904) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
PubChem CID115691904
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol
SMILESCc1nc(N(C)CCC(C)O)sc1C
InChIInChI=1S/C10H18N2OS/c1-7(13)5-6-12(4)10-11-8(2)9(3)14-10/h7,13H,5-6H2,1-4H3
InChIKeyWAFDWYGJECISMK-UHFFFAOYSA-N
XLogP1.97
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol (CID 115691904) is 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol is Cc1nc(N(C)CCC(C)O)sc1C.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The InChIKey is WAFDWYGJECISMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-7(13)5-6-12(4)10-11-8(2)9(3)14-10/h7,13H,5-6H2,1-4H3.
What are the key properties of 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol has a molecular weight of 214.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-thiazol-2-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 115691904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).