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

C10H18N2OS — CID 66091745

IUPAC3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESCc1ncsc1CNCC(C)CCO
InChIInChI=1S/C10H18N2OS/c1-8(3-4-13)5-11-6-10-9(2)12-7-14-10/h7-8,11,13H,3-6H2,1-2H3
InChIKeyBQXPTOSOPMETLR-UHFFFAOYSA-N
MW214.33 g/mol
LogP1.56
Rot. Bonds6

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

3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (PubChem CID 66091745) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
PubChem CID66091745
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
SMILESCc1ncsc1CNCC(C)CCO
InChIInChI=1S/C10H18N2OS/c1-8(3-4-13)5-11-6-10-9(2)12-7-14-10/h7-8,11,13H,3-6H2,1-2H3
InChIKeyBQXPTOSOPMETLR-UHFFFAOYSA-N
XLogP1.56
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The IUPAC name of 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol (CID 66091745) is 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is Cc1ncsc1CNCC(C)CCO.
What is the InChIKey of 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
The InChIKey is BQXPTOSOPMETLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-8(3-4-13)5-11-6-10-9(2)12-7-14-10/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol?
3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol is sourced from PubChem (CID 66091745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).