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

C11H20N2OS — CID 111436912

IUPAC3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1csc(C(C)C)n1
InChIInChI=1S/C11H20N2OS/c1-8(2)11-13-10(7-15-11)6-12-9(3)4-5-14/h7-9,12,14H,4-6H2,1-3H3
InChIKeyDHVYLBWBXQWDNH-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.13
Rot. Bonds6

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

3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (PubChem CID 111436912) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.

Molecular Properties

Compound Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
PubChem CID111436912
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
SMILESCC(CCO)NCc1csc(C(C)C)n1
InChIInChI=1S/C11H20N2OS/c1-8(2)11-13-10(7-15-11)6-12-9(3)4-5-14/h7-9,12,14H,4-6H2,1-3H3
InChIKeyDHVYLBWBXQWDNH-UHFFFAOYSA-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]pentan-2-amine;hydrochloride
CID 115589570
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-2-amine
CID 115717931
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111436836
(3R)-3-phenyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 111449969
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
(3R)-3-[[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]methyl]pentan-1-ol
CID 97025644
1-(4-hydroxy-2-methylbutyl)-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]urea
CID 111506024
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
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
3-(1,3-thiazol-4-ylmethylamino)butan-1-ol
CID 78997840

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The IUPAC name of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol (CID 111436912) is 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol.
What is the SMILES notation for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The canonical SMILES for 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is CC(CCO)NCc1csc(C(C)C)n1.
What is the InChIKey of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
The InChIKey is DHVYLBWBXQWDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-8(2)11-13-10(7-15-11)6-12-9(3)4-5-14/h7-9,12,14H,4-6H2,1-3H3.
What are the key properties of 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol?
3-[(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 3-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol is sourced from PubChem (CID 111436912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).