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

C8H15N3OS — CID 102769067

IUPAC4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1ncc(N)s1
InChIInChI=1S/C8H15N3OS/c1-6(12)3-4-11(2)8-10-5-7(9)13-8/h5-6,12H,3-4,9H2,1-2H3
InChIKeySEAVZGAFHSTSCN-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.93
Rot. Bonds4

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

4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol (PubChem CID 102769067) has the molecular formula C8H15N3OS and a molecular weight of 201.30 g/mol. Its IUPAC name is 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol.

Molecular Properties

Compound Name4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
PubChem CID102769067
Molecular FormulaC8H15N3OS
Molecular Weight201.30 g/mol
Exact Mass201.09
IUPAC Name4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol
SMILESCC(O)CCN(C)c1ncc(N)s1
InChIInChI=1S/C8H15N3OS/c1-6(12)3-4-11(2)8-10-5-7(9)13-8/h5-6,12H,3-4,9H2,1-2H3
InChIKeySEAVZGAFHSTSCN-UHFFFAOYSA-N
XLogP0.93
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The IUPAC name of 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol (CID 102769067) is 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol.
What is the SMILES notation for 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The canonical SMILES for 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol is CC(O)CCN(C)c1ncc(N)s1.
What is the InChIKey of 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
The InChIKey is SEAVZGAFHSTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-6(12)3-4-11(2)8-10-5-7(9)13-8/h5-6,12H,3-4,9H2,1-2H3.
What are the key properties of 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol?
4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol has a molecular weight of 201.30 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1,3-thiazol-2-yl)-methylamino]butan-2-ol is sourced from PubChem (CID 102769067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).