2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol

C12H22N2OS — CID 103993489

IUPAC2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCc1ncsc1CCNC(C)(C)C(C)(C)O
InChIInChI=1S/C12H22N2OS/c1-9-10(16-8-13-9)6-7-14-11(2,3)12(4,5)15/h8,14-15H,6-7H2,1-5H3
InChIKeyMSNKFFJEARMVAV-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.13
Rot. Bonds5

About 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol

2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol (PubChem CID 103993489) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
PubChem CID103993489
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol
SMILESCc1ncsc1CCNC(C)(C)C(C)(C)O
InChIInChI=1S/C12H22N2OS/c1-9-10(16-8-13-9)6-7-14-11(2,3)12(4,5)15/h8,14-15H,6-7H2,1-5H3
InChIKeyMSNKFFJEARMVAV-UHFFFAOYSA-N
XLogP2.13
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methyl-1,3-thiazol-5-yl)butan-2-amine
CID 65015632
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-propylurea
CID 110747837
3-methyl-3-[(4-methyl-1,3-thiazol-5-yl)methylamino]butan-1-ol
CID 115655890
2-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 114616804
N-ethoxy-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 64687165
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110718462
2-methyl-1-[methyl-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]amino]propan-2-ol
CID 78998272
3,4,5-trifluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62809929
2-methyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 65035743
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458
4-bromo-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62069570
2,4,5-trichloro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 62072016

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol (CID 103993489) is 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol is Cc1ncsc1CCNC(C)(C)C(C)(C)O.
What is the InChIKey of 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
The InChIKey is MSNKFFJEARMVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-9-10(16-8-13-9)6-7-14-11(2,3)12(4,5)15/h8,14-15H,6-7H2,1-5H3.
What are the key properties of 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol?
2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol has a molecular weight of 242.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]butan-2-ol is sourced from PubChem (CID 103993489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).