3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol

C8H14N2OS — CID 164652909

IUPAC3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(N)C(C)(O)Cc1ccns1
InChIInChI=1S/C8H14N2OS/c1-6(9)8(2,11)5-7-3-4-10-12-7/h3-4,6,11H,5,9H2,1-2H3
InChIKeySIPJKINKFOKZKS-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.78
Rot. Bonds3

About 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol

3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol (PubChem CID 164652909) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol
PubChem CID164652909
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol
SMILESCC(N)C(C)(O)Cc1ccns1
InChIInChI=1S/C8H14N2OS/c1-6(9)8(2,11)5-7-3-4-10-12-7/h3-4,6,11H,5,9H2,1-2H3
InChIKeySIPJKINKFOKZKS-UHFFFAOYSA-N
XLogP0.78
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[Amino(1,2-thiazol-5-yl)methyl]-3,3-bis(fluoromethyl)cyclobutan-1-ol
CID 165594686
3-(1,2-Thiazol-5-yl)butan-2-ol
CID 130801038
2-Methoxy-2-methyl-1-(1,2-thiazol-5-yl)propan-1-amine
CID 130855938
4-Amino-2-(1,2-thiazol-5-yl)butan-2-ol
CID 130900773
3-Amino-1-(1,2-thiazol-5-yl)cyclohexan-1-ol
CID 130952214
(1-Methoxycyclobutyl)-(1,2-thiazol-5-yl)methanamine
CID 131172129
3-Methyl-4-(1,2-thiazol-5-yl)butan-2-amine
CID 164649205
2-Methyl-1-[(1,2-thiazol-5-yl)methyl]cyclopentan-1-ol
CID 164652911
3,3-Dimethyl-1-[(1,2-thiazol-5-yl)methyl]cyclobutan-1-ol
CID 164652912
2-(2-Methylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol
CID 164652913
3-Amino-2,2-dimethyl-1-[(1,2-thiazol-5-yl)methyl]cyclobutan-1-ol
CID 164652915
2-(2,2-Dimethylcyclopropyl)-1-(1,2-thiazol-5-yl)propan-2-ol
CID 164652917

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol?
The IUPAC name of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol (CID 164652909) is 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol is CC(N)C(C)(O)Cc1ccns1.
What is the InChIKey of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol?
The InChIKey is SIPJKINKFOKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-6(9)8(2,11)5-7-3-4-10-12-7/h3-4,6,11H,5,9H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol?
3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-(1,2-thiazol-5-yl)butan-2-ol is sourced from PubChem (CID 164652909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).