4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol

C8H14N2OS — CID 82405697

IUPAC4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
SMILESCc1nc(C(O)CCCN)cs1
InChIInChI=1S/C8H14N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h5,8,11H,2-4,9H2,1H3
InChIKeyNQJDDAOESQQHKU-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.22
Rot. Bonds4

About 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol

4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol (PubChem CID 82405697) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
PubChem CID82405697
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol
SMILESCc1nc(C(O)CCCN)cs1
InChIInChI=1S/C8H14N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h5,8,11H,2-4,9H2,1H3
InChIKeyNQJDDAOESQQHKU-UHFFFAOYSA-N
XLogP1.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
The IUPAC name of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol (CID 82405697) is 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol.
What is the SMILES notation for 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
The canonical SMILES for 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol is Cc1nc(C(O)CCCN)cs1.
What is the InChIKey of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
The InChIKey is NQJDDAOESQQHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6-10-7(5-12-6)8(11)3-2-4-9/h5,8,11H,2-4,9H2,1H3.
What are the key properties of 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol?
4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methyl-1,3-thiazol-4-yl)butan-1-ol is sourced from PubChem (CID 82405697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).