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

C9H17N3OS — CID 64541944

IUPAC3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol
SMILESCCc1csc(NCC(N)C(C)O)n1
InChIInChI=1S/C9H17N3OS/c1-3-7-5-14-9(12-7)11-4-8(10)6(2)13/h5-6,8,13H,3-4,10H2,1-2H3,(H,11,12)
InChIKeySGNFAADOIBZPCC-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.83
Rot. Bonds5

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

3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol (PubChem CID 64541944) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol
PubChem CID64541944
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol
SMILESCCc1csc(NCC(N)C(C)O)n1
InChIInChI=1S/C9H17N3OS/c1-3-7-5-14-9(12-7)11-4-8(10)6(2)13/h5-6,8,13H,3-4,10H2,1-2H3,(H,11,12)
InChIKeySGNFAADOIBZPCC-UHFFFAOYSA-N
XLogP0.83
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylpentyl)-4-ethyl-1,3-thiazol-2-amine
CID 107156261
4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64539805
2-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]pentanoic acid
CID 65224618
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
2-[2-(2-methylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576968
N-(4-ethyl-1,3-thiazol-2-yl)-2,2-dimethylpentane-1,5-diamine
CID 106143003
N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine
CID 58115634
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 62961184
3-[(4-ethyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 62963347

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol (CID 64541944) is 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol is CCc1csc(NCC(N)C(C)O)n1.
What is the InChIKey of 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol?
The InChIKey is SGNFAADOIBZPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-3-7-5-14-9(12-7)11-4-8(10)6(2)13/h5-6,8,13H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol?
3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol has a molecular weight of 215.32 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol is sourced from PubChem (CID 64541944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).