(R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol

C14H21NO5S — CID 10543361

IUPAC(R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
SMILESCC1(C)O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]([C@@H](O)c2nccs2)O1
InChIInChI=1S/C14H21NO5S/c1-13(2)17-7-8(18-13)10-11(20-14(3,4)19-10)9(16)12-15-5-6-21-12/h5-6,8-11,16H,7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyURIRCSYDECNRHS-LNFKQOIKSA-N
MW315.39 g/mol
LogP1.85
Rot. Bonds3

About (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol

(R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol (PubChem CID 10543361) has the molecular formula C14H21NO5S and a molecular weight of 315.39 g/mol. Its IUPAC name is (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol.

Molecular Properties

Compound Name(R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
PubChem CID10543361
Molecular FormulaC14H21NO5S
Molecular Weight315.39 g/mol
Exact Mass315.11
IUPAC Name(R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol
SMILESCC1(C)O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]([C@@H](O)c2nccs2)O1
InChIInChI=1S/C14H21NO5S/c1-13(2)17-7-8(18-13)10-11(20-14(3,4)19-10)9(16)12-15-5-6-21-12/h5-6,8-11,16H,7H2,1-4H3/t8-,9+,10+,11+/m0/s1
InChIKeyURIRCSYDECNRHS-LNFKQOIKSA-N
XLogP1.85
TPSA70.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The IUPAC name of (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol (CID 10543361) is (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol.
What is the SMILES notation for (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The canonical SMILES for (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol is CC1(C)O[C@H]([C@@H]2COC(C)(C)O2)[C@@H]([C@@H](O)c2nccs2)O1.
What is the InChIKey of (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
The InChIKey is URIRCSYDECNRHS-LNFKQOIKSA-N. The full InChI is InChI=1S/C14H21NO5S/c1-13(2)17-7-8(18-13)10-11(20-14(3,4)19-10)9(16)12-15-5-6-21-12/h5-6,8-11,16H,7H2,1-4H3/t8-,9+,10+,11+/m0/s1.
What are the key properties of (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol?
(R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol has a molecular weight of 315.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(4R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methanol is sourced from PubChem (CID 10543361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).