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

C9H16N2OS — CID 130965344

IUPAC3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol
SMILESCc1cnc(C(O)C(C)(C)CN)s1
InChIInChI=1S/C9H16N2OS/c1-6-4-11-8(13-6)7(12)9(2,3)5-10/h4,7,12H,5,10H2,1-3H3
InChIKeyFFQHSHKCNPVLKO-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.47
Rot. Bonds3

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

3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol (PubChem CID 130965344) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol
PubChem CID130965344
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol
SMILESCc1cnc(C(O)C(C)(C)CN)s1
InChIInChI=1S/C9H16N2OS/c1-6-4-11-8(13-6)7(12)9(2,3)5-10/h4,7,12H,5,10H2,1-3H3
InChIKeyFFQHSHKCNPVLKO-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 42252000
2-(aminomethyl)-1-(5-chloro-1,3-thiazol-2-yl)-2-methylbutan-1-ol
CID 107125864
3-amino-2,2-dimethyl-1-pyrimidin-5-ylpropan-1-ol
CID 131050174
tert-butyl N-[2,3-dihydroxy-3-(5-methyl-1,3-thiazol-2-yl)propyl]carbamate
CID 170831524
2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104579964
(4-ethylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559043
3-amino-2,2-dimethyl-1-(2-methylthiophen-3-yl)propan-1-ol
CID 130581546
(2S)-2-amino-3,3-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide;dihydrochloride
CID 119898119
3-amino-2,2-dimethyl-1-thiophen-2-ylpropan-1-ol
CID 79135544
2-[(2-methylpropan-2-yl)oxy]-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 112629805
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-3-phenylbutanamide
CID 110025690
N-ethyl-2,2,2-trifluoro-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 168898781

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol (CID 130965344) is 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol is Cc1cnc(C(O)C(C)(C)CN)s1.
What is the InChIKey of 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol?
The InChIKey is FFQHSHKCNPVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6-4-11-8(13-6)7(12)9(2,3)5-10/h4,7,12H,5,10H2,1-3H3.
What are the key properties of 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol?
3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-1-(5-methyl-1,3-thiazol-2-yl)propan-1-ol is sourced from PubChem (CID 130965344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).