1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol

C9H15NOS2 — CID 79825227

IUPAC1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)SCC(O)Cc1nccs1
InChIInChI=1S/C9H15NOS2/c1-7(2)13-6-8(11)5-9-10-3-4-12-9/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyCXULLSURGRIVIH-UHFFFAOYSA-N
MW217.36 g/mol
LogP2.19
Rot. Bonds5

About 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol

1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol (PubChem CID 79825227) has the molecular formula C9H15NOS2 and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
PubChem CID79825227
Molecular FormulaC9H15NOS2
Molecular Weight217.36 g/mol
Exact Mass217.06
IUPAC Name1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
SMILESCC(C)SCC(O)Cc1nccs1
InChIInChI=1S/C9H15NOS2/c1-7(2)13-6-8(11)5-9-10-3-4-12-9/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyCXULLSURGRIVIH-UHFFFAOYSA-N
XLogP2.19
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-thiazol-2-yl)hexan-2-ol
CID 79824098
1-(ethylamino)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79819993
5-methoxy-4-methyl-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 105115330
1-(3,5-dimethylphenyl)-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79824564
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
4-(diethylamino)-1-(1,3-thiazol-2-yl)butan-2-ol
CID 79823797
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
CID 175140576
dipropan-2-yl 2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972762
(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664
1,1,1-trifluoro-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825119
[1-butan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105227259

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The IUPAC name of 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol (CID 79825227) is 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The canonical SMILES for 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol is CC(C)SCC(O)Cc1nccs1.
What is the InChIKey of 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol?
The InChIKey is CXULLSURGRIVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOS2/c1-7(2)13-6-8(11)5-9-10-3-4-12-9/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol?
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol has a molecular weight of 217.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol is sourced from PubChem (CID 79825227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).