(5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one

C14H18N6OS2 — CID 70606039

IUPAC(5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCc1ccc(Cn2nnnc2C2N3C(=O)C(N)[C@H]3SC2(C)C)s1
InChIInChI=1S/C14H18N6OS2/c1-7-4-5-8(22-7)6-19-11(16-17-18-19)10-14(2,3)23-13-9(15)12(21)20(10)13/h4-5,9-10,13H,6,15H2,1-3H3/t9?,10?,13-/m1/s1
InChIKeyXFVZTWCZUWBCHT-SRHKJQAYSA-N
MW350.47 g/mol
LogP1.15
Rot. Bonds3

About (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one

(5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 70606039) has the molecular formula C14H18N6OS2 and a molecular weight of 350.47 g/mol. Its IUPAC name is (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID70606039
Molecular FormulaC14H18N6OS2
Molecular Weight350.47 g/mol
Exact Mass350.10
IUPAC Name(5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SMILESCc1ccc(Cn2nnnc2C2N3C(=O)C(N)[C@H]3SC2(C)C)s1
InChIInChI=1S/C14H18N6OS2/c1-7-4-5-8(22-7)6-19-11(16-17-18-19)10-14(2,3)23-13-9(15)12(21)20(10)13/h4-5,9-10,13H,6,15H2,1-3H3/t9?,10?,13-/m1/s1
InChIKeyXFVZTWCZUWBCHT-SRHKJQAYSA-N
XLogP1.15
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one (CID 70606039) is (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one is Cc1ccc(Cn2nnnc2C2N3C(=O)C(N)[C@H]3SC2(C)C)s1.
What is the InChIKey of (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is XFVZTWCZUWBCHT-SRHKJQAYSA-N. The full InChI is InChI=1S/C14H18N6OS2/c1-7-4-5-8(22-7)6-19-11(16-17-18-19)10-14(2,3)23-13-9(15)12(21)20(10)13/h4-5,9-10,13H,6,15H2,1-3H3/t9?,10?,13-/m1/s1.
What are the key properties of (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one?
(5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 350.47 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6-amino-3,3-dimethyl-2-[1-[(5-methylthiophen-2-yl)methyl]tetrazol-5-yl]-4-thia-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 70606039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).