2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol

C12H22N2OS — CID 115638035

IUPAC2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
SMILESCC(C)c1nc(CN(C)C(C)(C)CO)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)11-13-10(7-16-11)6-14(5)12(3,4)8-15/h7,9,15H,6,8H2,1-5H3
InChIKeySWNAGAURVJBYKT-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.47
Rot. Bonds5

About 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol

2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol (PubChem CID 115638035) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
PubChem CID115638035
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
SMILESCC(C)c1nc(CN(C)C(C)(C)CO)cs1
InChIInChI=1S/C12H22N2OS/c1-9(2)11-13-10(7-16-11)6-14(5)12(3,4)8-15/h7,9,15H,6,8H2,1-5H3
InChIKeySWNAGAURVJBYKT-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
ethyl 4-[[(1-hydroxy-2-methylpropan-2-yl)-methylamino]methyl]-1,3-thiazole-2-carboxylate
CID 113238948
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
2-methyl-2-[methyl(1,3-thiazol-2-ylmethyl)amino]propan-1-ol
CID 115752782
N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 77085896
3-[(Z)-2-aminoethenyl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 70837873
2-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-N-prop-2-enylpropane-2-sulfonamide
CID 84596005
(2S)-2-[[ethyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]propanoic acid
CID 10614110
N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 63966979
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 77085626
2,5-dimethyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]hexan-2-ol
CID 111449396

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol (CID 115638035) is 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol is CC(C)c1nc(CN(C)C(C)(C)CO)cs1.
What is the InChIKey of 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol?
The InChIKey is SWNAGAURVJBYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9(2)11-13-10(7-16-11)6-14(5)12(3,4)8-15/h7,9,15H,6,8H2,1-5H3.
What are the key properties of 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol?
2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 115638035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).