3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol

C14H26N2OS — CID 113362922

IUPAC3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(C)c1nc(CNC(C)(C)C(C)(C)O)cs1
InChIInChI=1S/C14H26N2OS/c1-12(2,3)11-16-10(9-18-11)8-15-13(4,5)14(6,7)17/h9,15,17H,8H2,1-7H3
InChIKeyARHWYFCYIULKRQ-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.08
Rot. Bonds4

About 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol

3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 113362922) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
PubChem CID113362922
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
SMILESCC(C)(C)c1nc(CNC(C)(C)C(C)(C)O)cs1
InChIInChI=1S/C14H26N2OS/c1-12(2,3)11-16-10(9-18-11)8-15-13(4,5)14(6,7)17/h9,15,17H,8H2,1-7H3
InChIKeyARHWYFCYIULKRQ-UHFFFAOYSA-N
XLogP3.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 113243337
methyl 2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-methylpropanoate
CID 115609824
2-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2-cyclopropylpropan-1-ol
CID 111977158
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-chloroacetamide
CID 146085974
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-2,2,3-trimethylbutanoic acid
CID 65265310
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115777221
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-phenylmethanamine
CID 115586423
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-yn-1-amine
CID 115614174
2-bromo-N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]prop-2-en-1-amine
CID 115614724
2,3-dimethyl-3-(thiadiazol-4-ylmethylamino)butan-2-ol
CID 106186625
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 115629587
6-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]hexan-1-ol
CID 103924140

Frequently Asked Questions

What is the IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol (CID 113362922) is 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol is CC(C)(C)c1nc(CNC(C)(C)C(C)(C)O)cs1.
What is the InChIKey of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
The InChIKey is ARHWYFCYIULKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-12(2,3)11-16-10(9-18-11)8-15-13(4,5)14(6,7)17/h9,15,17H,8H2,1-7H3.
What are the key properties of 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol?
3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 270.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 113362922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).