1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol

C13H23NOS — CID 115824197

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1nc(C)cs1
InChIInChI=1S/C13H23NOS/c1-4-6-11(7-5-2)12(15)8-13-14-10(3)9-16-13/h9,11-12,15H,4-8H2,1-3H3
InChIKeyZCVXKNKMQPDRSJ-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.57
Rot. Bonds7

About 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol

1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol (PubChem CID 115824197) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
PubChem CID115824197
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol
SMILESCCCC(CCC)C(O)Cc1nc(C)cs1
InChIInChI=1S/C13H23NOS/c1-4-6-11(7-5-2)12(15)8-13-14-10(3)9-16-13/h9,11-12,15H,4-8H2,1-3H3
InChIKeyZCVXKNKMQPDRSJ-UHFFFAOYSA-N
XLogP3.57
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)butane-2,3-diol
CID 103452784
(2S)-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-amine
CID 94605824
4,4-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103457297
1-(4-methyl-1,3-thiazol-2-yl)heptan-2-amine
CID 62796871
3-amino-3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-ol
CID 130589293
3-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)hexan-2-amine
CID 116717476
5-ethoxy-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 105117704
5-ethylsulfonyl-1-(4-methyl-1,3-thiazol-2-yl)pentan-2-ol
CID 65095838
2-ethyl-4-methyl-1,3-thiazole
CID 27440
3-methyl-1-(4-methyl-1,3-thiazol-2-yl)butan-2-amine
CID 62797218
2-(4-methyl-1,3-thiazol-2-yl)-1-pyrimidin-5-ylethanol
CID 62796863
azane;2-ethyl-4-methyl-1,3-thiazole
CID 69058661

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol (CID 115824197) is 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol is CCCC(CCC)C(O)Cc1nc(C)cs1.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol?
The InChIKey is ZCVXKNKMQPDRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-4-6-11(7-5-2)12(15)8-13-14-10(3)9-16-13/h9,11-12,15H,4-8H2,1-3H3.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol?
1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol has a molecular weight of 241.40 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-propylhexan-2-ol is sourced from PubChem (CID 115824197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).