(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one

C21H24N2O2S — CID 67753796

IUPAC(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCCCOC1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-2-13-25-19-18-15-26-20(17-11-7-4-8-12-17)23(18)21(24)22(19)14-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3/t18-,19?,20?/m0/s1
InChIKeyDTTPKQVEWHZAAM-HDYDNRTBSA-N
MW368.50 g/mol
LogP4.49
Rot. Bonds6

About (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one

(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (PubChem CID 67753796) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.

Molecular Properties

Compound Name(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
PubChem CID67753796
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one
SMILESCCCOC1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-2-13-25-19-18-15-26-20(17-11-7-4-8-12-17)23(18)21(24)22(19)14-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3/t18-,19?,20?/m0/s1
InChIKeyDTTPKQVEWHZAAM-HDYDNRTBSA-N
XLogP4.49
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The IUPAC name of (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one (CID 67753796) is (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one.
What is the SMILES notation for (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The canonical SMILES for (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one is CCCOC1[C@@H]2CSC(c3ccccc3)N2C(=O)N1Cc1ccccc1.
What is the InChIKey of (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
The InChIKey is DTTPKQVEWHZAAM-HDYDNRTBSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-2-13-25-19-18-15-26-20(17-11-7-4-8-12-17)23(18)21(24)22(19)14-16-9-5-3-6-10-16/h3-12,18-20H,2,13-15H2,1H3/t18-,19?,20?/m0/s1.
What are the key properties of (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one?
(7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one has a molecular weight of 368.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-6-benzyl-3-phenyl-7-propoxy-1,3,7,7a-tetrahydroimidazo[1,5-c][1,3]thiazol-5-one is sourced from PubChem (CID 67753796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).