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

C12H15NOS3 — CID 66104721

IUPAC2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)CSCc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H15NOS3/c1-9(4-14)5-16-7-11-8-17-12(13-11)10-2-3-15-6-10/h2-3,6,8-9,14H,4-5,7H2,1H3
InChIKeyQCZUUPVYWJVMBO-UHFFFAOYSA-N
MW285.46 g/mol
LogP3.73
Rot. Bonds6

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

2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol (PubChem CID 66104721) has the molecular formula C12H15NOS3 and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
PubChem CID66104721
Molecular FormulaC12H15NOS3
Molecular Weight285.46 g/mol
Exact Mass285.03
IUPAC Name2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol
SMILESCC(CO)CSCc1csc(-c2ccsc2)n1
InChIInChI=1S/C12H15NOS3/c1-9(4-14)5-16-7-11-8-17-12(13-11)10-2-3-15-6-10/h2-3,6,8-9,14H,4-5,7H2,1H3
InChIKeyQCZUUPVYWJVMBO-UHFFFAOYSA-N
XLogP3.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol with MolForge

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Related Compounds

3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]butan-2-ol
CID 113244476
3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241285
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfonyl]propan-1-ol
CID 111469884
2-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propanoic acid
CID 43241284
3-[[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-2-methylpropan-1-ol
CID 111542481
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111448602
(2S,3S)-1,4-bis[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]butane-2,3-diol
CID 98082805
4-(bromomethyl)-2-thiophen-3-yl-1,3-thiazole
CID 81222713
2-methyl-N-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115573430
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
CID 8751448
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 9130807
3-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 111469045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
The IUPAC name of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol (CID 66104721) is 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol is CC(CO)CSCc1csc(-c2ccsc2)n1.
What is the InChIKey of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
The InChIKey is QCZUUPVYWJVMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS3/c1-9(4-14)5-16-7-11-8-17-12(13-11)10-2-3-15-6-10/h2-3,6,8-9,14H,4-5,7H2,1H3.
What are the key properties of 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol?
2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol has a molecular weight of 285.46 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methylsulfanyl]propan-1-ol is sourced from PubChem (CID 66104721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).