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

C11H20N2OS — CID 62334490

IUPAC1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C11H20N2OS/c1-8(2)11-12-10(7-15-11)6-13(4)5-9(3)14/h7-9,14H,5-6H2,1-4H3
InChIKeyZFLZNNGCTULYQZ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.08
Rot. Bonds5

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

1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (PubChem CID 62334490) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
PubChem CID62334490
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
SMILESCC(O)CN(C)Cc1csc(C(C)C)n1
InChIInChI=1S/C11H20N2OS/c1-8(2)11-12-10(7-15-11)6-13(4)5-9(3)14/h7-9,14H,5-6H2,1-4H3
InChIKeyZFLZNNGCTULYQZ-UHFFFAOYSA-N
XLogP2.08
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
2-methyl-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-1-ol
CID 115638035
N-ethyl-N-[4-[[2-hydroxypropyl(methyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 62333948
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56711403
N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 137025319
2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 135115780
N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 156585739
N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 77085896
N-(2,4-dimethylphenyl)-2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetamide
CID 50984695
4-methyl-2-[[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]acetyl]amino]-1,3-thiazole-5-carboxylic acid
CID 135116888
3-[(Z)-2-aminoethenyl]-1-methyl-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 70837873

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol (CID 62334490) is 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is CC(O)CN(C)Cc1csc(C(C)C)n1.
What is the InChIKey of 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
The InChIKey is ZFLZNNGCTULYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)11-12-10(7-15-11)6-13(4)5-9(3)14/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol?
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 62334490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).