2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol

C9H16N2OS — CID 81412166

IUPAC2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
SMILESCC(C)(CO)CNCc1cscn1
InChIInChI=1S/C9H16N2OS/c1-9(2,6-12)5-10-3-8-4-13-7-11-8/h4,7,10,12H,3,5-6H2,1-2H3
InChIKeyRJHRUOWMFMYUAV-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.25
Rot. Bonds5

About 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol

2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol (PubChem CID 81412166) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
PubChem CID81412166
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol
SMILESCC(C)(CO)CNCc1cscn1
InChIInChI=1S/C9H16N2OS/c1-9(2,6-12)5-10-3-8-4-13-7-11-8/h4,7,10,12H,3,5-6H2,1-2H3
InChIKeyRJHRUOWMFMYUAV-UHFFFAOYSA-N
XLogP1.25
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,4-trimethyl-1-(1,3-thiazol-4-ylmethylamino)pentan-3-ol
CID 115763821
methyl 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propanoate
CID 75501528
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
2,2-diethyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 115432832
4-[2-methyl-1-(1,3-thiazol-4-ylmethylamino)propan-2-yl]aniline
CID 80556664
2-methyl-2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 61171194
4-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 106841033
6-[(1,3-thiazol-4-ylmethylamino)methyl]pyridin-3-ol
CID 79794983
N-[(2-methylpropan-2-yl)oxy]-1-(1,3-thiazol-4-yl)methanamine
CID 82720392
2-methyl-N-(1,3-thiazol-4-ylmethyl)propane-2-sulfinamide
CID 155213884
1,1,1-trifluoro-3-(1,3-thiazol-4-ylmethylamino)propan-2-ol
CID 103625342
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol (CID 81412166) is 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol is CC(C)(CO)CNCc1cscn1.
What is the InChIKey of 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
The InChIKey is RJHRUOWMFMYUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-9(2,6-12)5-10-3-8-4-13-7-11-8/h4,7,10,12H,3,5-6H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol?
2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol has a molecular weight of 200.31 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1,3-thiazol-4-ylmethylamino)propan-1-ol is sourced from PubChem (CID 81412166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).