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

C9H16N2OS — CID 130589293

IUPAC3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCc1csc(CC(O)C(C)(C)N)n1
InChIInChI=1S/C9H16N2OS/c1-6-5-13-8(11-6)4-7(12)9(2,3)10/h5,7,12H,4,10H2,1-3H3
InChIKeyMXRSKERSCIXGHX-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.09
Rot. Bonds3

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

3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol (PubChem CID 130589293) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
PubChem CID130589293
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
SMILESCc1csc(CC(O)C(C)(C)N)n1
InChIInChI=1S/C9H16N2OS/c1-6-5-13-8(11-6)4-7(12)9(2,3)10/h5,7,12H,4,10H2,1-3H3
InChIKeyMXRSKERSCIXGHX-UHFFFAOYSA-N
XLogP1.09
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-methylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 115824151
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 105019405
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
5,5,5-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 64567637
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
CID 115824197
[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105214128
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
[1-chloro-1,1-difluoro-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105265468

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
The IUPAC name of 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol (CID 130589293) is 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
The canonical SMILES for 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol is Cc1csc(CC(O)C(C)(C)N)n1.
What is the InChIKey of 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
The InChIKey is MXRSKERSCIXGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6-5-13-8(11-6)4-7(12)9(2,3)10/h5,7,12H,4,10H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol?
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol has a molecular weight of 200.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol is sourced from PubChem (CID 130589293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).