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

C11H20N2OS — CID 103924364

IUPAC(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1csc(C(C)C)n1
InChIInChI=1S/C11H20N2OS/c1-4-9(6-14)12-5-10-7-15-11(13-10)8(2)3/h7-9,12,14H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyVTOLHNBAMNWVDK-SECBINFHSA-N
MW228.36 g/mol
LogP2.13
Rot. Bonds6

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

(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (PubChem CID 103924364) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
PubChem CID103924364
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC[C@H](CO)NCc1csc(C(C)C)n1
InChIInChI=1S/C11H20N2OS/c1-4-9(6-14)12-5-10-7-15-11(13-10)8(2)3/h7-9,12,14H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyVTOLHNBAMNWVDK-SECBINFHSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-3-amine;hydrochloride
CID 115615153
3-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentan-2-amine
CID 115592544
3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436912
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]hexan-2-amine
CID 115717931
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
N-methyl-1-(2-propan-2-yl-1,3-thiazol-4-yl)methanamine;hydrochloride
CID 11622565
N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115726282
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
(2R)-2-(thiadiazol-4-ylmethylamino)butan-1-ol
CID 103924393
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (CID 103924364) is (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is CC[C@H](CO)NCc1csc(C(C)C)n1.
What is the InChIKey of (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The InChIKey is VTOLHNBAMNWVDK-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-4-9(6-14)12-5-10-7-15-11(13-10)8(2)3/h7-9,12,14H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 103924364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).