2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide

C8H13NO2S2 — CID 175140576

IUPAC2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
SMILESCC[C@@H](C)Cc1nccs1.O=S=O
InChIInChI=1S/C8H13NS.O2S/c1-3-7(2)6-8-9-4-5-10-8;1-3-2/h4-5,7H,3,6H2,1-2H3;/t7-;/m1./s1
InChIKeyZZWFLGIYTWRZAH-OGFXRTJISA-N
MW219.33 g/mol
LogP2.06
Rot. Bonds3

About 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide

2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide (PubChem CID 175140576) has the molecular formula C8H13NO2S2 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide.

Molecular Properties

Compound Name2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
PubChem CID175140576
Molecular FormulaC8H13NO2S2
Molecular Weight219.33 g/mol
Exact Mass219.04
IUPAC Name2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide
SMILESCC[C@@H](C)Cc1nccs1.O=S=O
InChIInChI=1S/C8H13NS.O2S/c1-3-7(2)6-8-9-4-5-10-8;1-3-2/h4-5,7H,3,6H2,1-2H3;/t7-;/m1./s1
InChIKeyZZWFLGIYTWRZAH-OGFXRTJISA-N
XLogP2.06
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-3-(1,3-thiazol-2-yl)propane-1-thiol
CID 59948549
N-ethyl-4-methyl-1-(1,3-thiazol-2-yl)hexan-2-amine
CID 105015031
1-(1,3-thiazol-2-yl)propane-2-thiol
CID 57089888
3-methyl-N-propyl-4-(1,3-thiazol-2-yl)butan-1-amine
CID 81019970
3-ethyl-1-(1,3-thiazol-2-yl)pentan-2-amine
CID 105015255
methyl 2-(1,3-thiazol-2-ylmethyl)butanoate
CID 79823968
propane-1,1-diamine;2-propyl-1,3-thiazole
CID 67654906
1-propan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-ol
CID 79825227
[1-butan-2-ylsulfanyl-3-(1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105227259
2-methyl-3-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 114899410
dipropan-2-yl 2-(1,3-thiazol-2-ylmethyl)propanedioate
CID 103972762
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide?
The IUPAC name of 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide (CID 175140576) is 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide.
What is the SMILES notation for 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide?
The canonical SMILES for 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide is CC[C@@H](C)Cc1nccs1.O=S=O.
What is the InChIKey of 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide?
The InChIKey is ZZWFLGIYTWRZAH-OGFXRTJISA-N. The full InChI is InChI=1S/C8H13NS.O2S/c1-3-7(2)6-8-9-4-5-10-8;1-3-2/h4-5,7H,3,6H2,1-2H3;/t7-;/m1./s1.
What are the key properties of 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide?
2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide has a molecular weight of 219.33 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-methylbutyl]-1,3-thiazole;sulfur dioxide is sourced from PubChem (CID 175140576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).