3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol

C13H17NOS2 — CID 116969681

IUPAC3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
SMILESCC(C)C(CO)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H17NOS2/c1-9(2)10(7-15)6-13-14-11(8-17-13)12-4-3-5-16-12/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeySCNGKKIYQWWHFB-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.68
Rot. Bonds5

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

3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol (PubChem CID 116969681) has the molecular formula C13H17NOS2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
PubChem CID116969681
Molecular FormulaC13H17NOS2
Molecular Weight267.42 g/mol
Exact Mass267.08
IUPAC Name3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol
SMILESCC(C)C(CO)Cc1nc(-c2cccs2)cs1
InChIInChI=1S/C13H17NOS2/c1-9(2)10(7-15)6-13-14-11(8-17-13)12-4-3-5-16-12/h3-5,8-10,15H,6-7H2,1-2H3
InChIKeySCNGKKIYQWWHFB-UHFFFAOYSA-N
XLogP3.68
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-ol
CID 82117281
3-methyl-2-[[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]butan-1-ol
CID 116969683
3-methyl-4-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanoic acid
CID 116968699
2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 116969594
1-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-2-one
CID 116966409
2-[2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethylamino]butan-1-ol
CID 82103012
2-[(4-cyclobutyl-1,3-thiazol-2-yl)methyl]-3-methylbutan-1-ol
CID 116969693
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propane-1-thiol
CID 116968907
2,2-dimethyl-3-(4-thiophen-2-yl-1,3-thiazol-2-yl)propan-1-amine
CID 116965205
4-amino-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)pentanamide
CID 120558829
2-(2-thiophen-2-yl-1,3-thiazol-4-yl)propan-1-ol
CID 115089100

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol (CID 116969681) is 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol is CC(C)C(CO)Cc1nc(-c2cccs2)cs1.
What is the InChIKey of 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol?
The InChIKey is SCNGKKIYQWWHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NOS2/c1-9(2)10(7-15)6-13-14-11(8-17-13)12-4-3-5-16-12/h3-5,8-10,15H,6-7H2,1-2H3.
What are the key properties of 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol?
3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol has a molecular weight of 267.42 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]butan-1-ol is sourced from PubChem (CID 116969681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).