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

C8H15N3O2S — CID 103382876

IUPAC2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1snc(N)c1OC
InChIInChI=1S/C8H15N3O2S/c1-3-5(4-12)10-8-6(13-2)7(9)11-14-8/h5,10,12H,3-4H2,1-2H3,(H2,9,11)
InChIKeyQZWPUJBOHINWPB-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.92
Rot. Bonds5

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

2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol (PubChem CID 103382876) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
PubChem CID103382876
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC Name2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol
SMILESCCC(CO)Nc1snc(N)c1OC
InChIInChI=1S/C8H15N3O2S/c1-3-5(4-12)10-8-6(13-2)7(9)11-14-8/h5,10,12H,3-4H2,1-2H3,(H2,9,11)
InChIKeyQZWPUJBOHINWPB-UHFFFAOYSA-N
XLogP0.92
TPSA80.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-5-(1-hydroxybutan-2-ylamino)-N-methyl-1,2-thiazole-4-carboxamide
CID 103382875
4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
CID 103360878
5-N-(2,2-dimethylpropyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103378404
methyl 3-amino-5-[(1-hydroxy-4-methoxybutan-2-yl)amino]-1,2-thiazole-4-carboxylate
CID 114212341
(2S)-2-[(3-aminopyrazin-2-yl)amino]butan-1-ol
CID 131154572
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
5-N-[(4-ethylphenyl)methyl]-4-methoxy-1,2-thiazole-3,5-diamine
CID 106901116
4-cyclopropyl-5-N-pentan-3-yl-1,2-thiazole-3,5-diamine
CID 103363365
4-methoxy-5-N-(3-methylsulfanylbutyl)-1,2-thiazole-3,5-diamine
CID 103384397
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
4-methoxy-5-N-(oxan-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380641

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
The IUPAC name of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol (CID 103382876) is 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol.
What is the SMILES notation for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
The canonical SMILES for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol is CCC(CO)Nc1snc(N)c1OC.
What is the InChIKey of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
The InChIKey is QZWPUJBOHINWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-3-5(4-12)10-8-6(13-2)7(9)11-14-8/h5,10,12H,3-4H2,1-2H3,(H2,9,11).
What are the key properties of 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol?
2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol has a molecular weight of 217.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]butan-1-ol is sourced from PubChem (CID 103382876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).