(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol

C13H24N2OS — CID 97025644

IUPAC(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
SMILESCC[C@H](CCO)CNCc1csc(C(C)C)n1
InChIInChI=1S/C13H24N2OS/c1-4-11(5-6-16)7-14-8-12-9-17-13(15-12)10(2)3/h9-11,14,16H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyFEPLPEHQODOKLU-LLVKDONJSA-N
MW256.41 g/mol
LogP2.76
Rot. Bonds8

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

(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol (PubChem CID 97025644) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol.

Molecular Properties

Compound Name(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
PubChem CID97025644
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
SMILESCC[C@H](CCO)CNCc1csc(C(C)C)n1
InChIInChI=1S/C13H24N2OS/c1-4-11(5-6-16)7-14-8-12-9-17-13(15-12)10(2)3/h9-11,14,16H,4-8H2,1-3H3/t11-/m1/s1
InChIKeyFEPLPEHQODOKLU-LLVKDONJSA-N
XLogP2.76
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol with MolForge

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Related Compounds

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
1-(4-hydroxy-2-methylbutyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111506024
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
1-cyclopropyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]methanamine
CID 115589650
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 115592544
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-3-amine;hydrochloride
CID 115615153
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine;hydrochloride
CID 115589570
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
3,3-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butan-1-amine
CID 115589645
5-methyl-3-[(1,3-thiazol-4-ylmethylamino)methyl]hexan-1-ol
CID 111498615

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol?
The IUPAC name of (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol (CID 97025644) is (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol.
What is the SMILES notation for (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol?
The canonical SMILES for (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol is CC[C@H](CCO)CNCc1csc(C(C)C)n1.
What is the InChIKey of (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol?
The InChIKey is FEPLPEHQODOKLU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-4-11(5-6-16)7-14-8-12-9-17-13(15-12)10(2)3/h9-11,14,16H,4-8H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol?
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol is sourced from PubChem (CID 97025644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).